# generated using pymatgen data_Ti3NiSb2(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.87375605 _cell_length_b 8.87375605 _cell_length_c 8.87375539 _cell_angle_alpha 58.85274512 _cell_angle_beta 58.85274512 _cell_angle_gamma 58.85274292 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3NiSb2(PO4)6 _chemical_formula_sum 'Ti3 Ni1 Sb2 P6 O24' _cell_volume 481.15039258 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 0.14584700 0.14584700 0.14584700 1.0 Ti Ti1 1 0.35091400 0.35091400 0.35091400 1.0 Ti Ti2 1 0.64948900 0.64949000 0.64949000 1.0 Ni Ni3 1 0.85022400 0.85022400 0.85022400 1.0 Sb Sb4 1 0.99094700 0.99094700 0.99094700 1.0 Sb Sb5 1 0.49589900 0.49589900 0.49589900 1.0 P P6 1 0.04171100 0.46093500 0.75201400 1.0 P P7 1 0.46093500 0.75201400 0.04171100 1.0 P P8 1 0.25083200 0.95906300 0.54068000 1.0 P P9 1 0.54068000 0.25083200 0.95906300 1.0 P P10 1 0.95906300 0.54068000 0.25083200 1.0 P P11 1 0.75201400 0.04171100 0.46093500 1.0 O O12 1 0.11759400 0.50106400 0.30602500 1.0 O O13 1 0.30602500 0.11759400 0.50106400 1.0 O O14 1 0.06309500 0.26851700 0.91502300 1.0 O O15 1 0.50106400 0.30602500 0.11759400 1.0 O O16 1 0.01454700 0.61539100 0.79884600 1.0 O O17 1 0.23435500 0.43531400 0.58148100 1.0 O O18 1 0.26851700 0.91502300 0.06309500 1.0 O O19 1 0.43531400 0.58148100 0.23435500 1.0 O O20 1 0.19462800 0.99721100 0.38412200 1.0 O O21 1 0.58148100 0.23435500 0.43531400 1.0 O O22 1 0.08592000 0.94211700 0.73330900 1.0 O O23 1 0.38412200 0.19462800 0.99721100 1.0 O O24 1 0.61539100 0.79884600 0.01454700 1.0 O O25 1 0.91502300 0.06309500 0.26851700 1.0 O O26 1 0.41703900 0.76959900 0.56047300 1.0 O O27 1 0.79884600 0.01454700 0.61539100 1.0 O O28 1 0.56047300 0.41703900 0.76959900 1.0 O O29 1 0.73330900 0.08592000 0.94211700 1.0 O O30 1 0.76959900 0.56047300 0.41703900 1.0 O O31 1 0.99721100 0.38412200 0.19462800 1.0 O O32 1 0.49499100 0.69593800 0.88484600 1.0 O O33 1 0.94211700 0.73330900 0.08592000 1.0 O O34 1 0.69593800 0.88484600 0.49499100 1.0 O O35 1 0.88484600 0.49499100 0.69593800 1.0