data_5910283 loop_ _publ_author_name 'Wyckoff, R. W. G.' _publ_section_title ; Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 ; _journal_name_full 'The Structure of Crystals' _journal_page_first 429 _journal_page_last 431 _journal_volume 3 _journal_year 1951 _chemical_formula_structural HfP2O7 _chemical_formula_sum 'Hf O7 P2' _space_group_IT_number 205 _symmetry_cell_setting cubic _symmetry_Int_Tables_number 205 _symmetry_space_group_name_Hall '-P 2ac 2ab 3' _symmetry_space_group_name_H-M 'P a -3' _audit_creation_date 2006-08-07 _audit_creation_method ; Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 ; _audit_update_record 'created by Girish Upreti, Portland State University' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 8.18 _cell_length_b 8.18 _cell_length_c 8.18 _cell_volume 547.343 _[local]_cod_chemical_formula_sum_orig 'Hf P2 O7' _cod_database_code 5910283 loop_ _symmetry_equiv_pos_as_xyz x,y,z z,x,y y,z,x -y+1/2,-z,x+1/2 z+1/2,-x+1/2,-y -y,z+1/2,-x+1/2 -z+1/2,-x,y+1/2 -z,x+1/2,-y+1/2 y+1/2,-z+1/2,-x x+1/2,-y+1/2,-z -x,y+1/2,-z+1/2 -x+1/2,-y,z+1/2 -x,-y,-z -z,-x,-y -y,-z,-x y+1/2,z,-x+1/2 -z+1/2,x+1/2,y y,-z+1/2,x+1/2 z+1/2,x,-y+1/2 z,-x+1/2,y+1/2 -y+1/2,z+1/2,x -x+1/2,y+1/2,z x,-y+1/2,z+1/2 x+1/2,y,-z+1/2 loop_ _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_label 0.00000 0.00000 0.00000 Hf1 0.39000 0.39000 0.39000 P1 0.89000 0.11000 -0.39000 P2 -0.39000 0.89000 0.11000 P3 0.11000 -0.39000 0.89000 P4 -0.39000 -0.39000 -0.39000 P5 -0.89000 -0.11000 0.39000 P6 0.39000 -0.89000 -0.11000 P7 -0.11000 0.39000 -0.89000 P8 0.50000 0.50000 0.50000 O1 0.39400 0.21800 0.45800 O2 0.89400 0.28200 -0.45800 O3 -0.39400 0.71800 0.04200 O4 0.10600 -0.21800 0.95800 O5 0.45800 0.39400 0.21800 O6 -0.45800 0.89400 0.28200 O7 0.04200 -0.39400 0.71800 O8 0.95800 0.10600 -0.21800 O9 0.21800 0.45800 0.39400 O10 0.28200 -0.45800 0.89400 O11 0.71800 0.04200 -0.39400 O12 -0.21800 0.95800 0.10600 O13 -0.50000 -0.50000 -0.50000 O14 -0.39400 -0.21800 -0.45800 O15 -0.89400 -0.28200 0.45800 O16 0.39400 -0.71800 -0.04200 O17 -0.10600 0.21800 -0.95800 O18 -0.45800 -0.39400 -0.21800 O19 0.45800 -0.89400 -0.28200 O20 -0.04200 0.39400 -0.71800 O21 -0.95800 -0.10600 0.21800 O22 -0.21800 -0.45800 -0.39400 O23 -0.28200 0.45800 -0.89400 O24 -0.71800 -0.04200 0.39400 O25 0.21800 -0.95800 -0.10600 O26