data_global _amcsd_formula_title 'Nb0.787 O5 P W0.213' loop_ _publ_author_name 'Leclaire A' 'Borel M' 'Raveau B' 'Mezaoui D' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 212 _journal_year 1997 _journal_page_first 837 _journal_page_last 839 _publ_section_title ; Combination of $-alpha-Nb O P O4 type layers with enantiomorphic alpha'-type layers: the "racemic structure" of alpha-alpha'- (Nb0.787 W0.213 O P O4) _cod_database_code 1001834 ; _database_code_amcsd 0011074 _chemical_formula_sum '(Nb.787 W.213) P O5' _cell_length_a 6.3524 _cell_length_b 6.3524 _cell_length_c 4.0916 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 165.108 _exptl_crystal_density_diffrn 4.491 _symmetry_space_group_name_H-M 'P 4/n m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,z' '1/2+y,1/2+x,-z' '1/2+y,-x,-z' '1/2-y,x,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2+x,1/2+y,-z' '1/2-x,1/2-y,z' 'y,x,z' '-y,-x,-z' '-y,1/2+x,-z' 'y,1/2-x,z' '1/2-x,y,z' '1/2+x,-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb1 0.25000 0.25000 0.28336 0.78700 W1 0.25000 0.25000 0.28336 0.21300 P1 0.25000 0.75000 0.00000 1.00000 O1 0.25000 0.25000 0.71000 1.00000 O2 0.21540 0.55690 0.21370 0.50000