# generated using pymatgen data_Na5Nb3(Ni4P3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.12873300 _cell_length_b 12.12873279 _cell_length_c 3.69822953 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999792 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Nb3(Ni4P3)4 _chemical_formula_sum 'Na5 Nb3 Ni16 P12' _cell_volume 471.14584637 _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 Na Na0 1 0.81887030 0.00000000 0.50000000 1.0 Na Na1 1 0.00000000 0.81887030 0.50000000 1.0 Na Na2 1 0.18112970 0.18112970 0.50000000 1.0 Na Na3 1 0.33333300 0.66666700 0.00000000 1.0 Na Na4 1 0.66666700 0.33333300 0.00000000 1.0 Nb Nb5 1 0.44360307 0.00000000 0.00000000 1.0 Nb Nb6 1 0.00000000 0.44360307 0.00000000 1.0 Nb Nb7 1 0.55639693 0.55639693 0.00000000 1.0 Ni Ni8 1 0.27509287 1.00000000 0.50000000 1.0 Ni Ni9 1 1.00000000 0.27509287 0.50000000 1.0 Ni Ni10 1 0.72490713 0.72490713 0.50000000 1.0 Ni Ni11 1 0.62382428 0.80666722 0.00000000 1.0 Ni Ni12 1 0.19333278 0.81715806 0.00000000 1.0 Ni Ni13 1 0.18284194 0.37617572 0.00000000 1.0 Ni Ni14 1 0.37617572 0.18284194 0.00000000 1.0 Ni Ni15 1 0.80666722 0.62382428 0.00000000 1.0 Ni Ni16 1 0.81715806 0.19333278 0.00000000 1.0 Ni Ni17 1 0.51879792 0.87375881 0.50000000 1.0 Ni Ni18 1 0.12624119 0.64503911 0.50000000 1.0 Ni Ni19 1 0.35496089 0.48120208 0.50000000 1.0 Ni Ni20 1 0.48120208 0.35496089 0.50000000 1.0 Ni Ni21 1 0.87375881 0.51879792 0.50000000 1.0 Ni Ni22 1 0.64503911 0.12624119 0.50000000 1.0 Ni Ni23 1 0.00000000 0.00000000 0.00000000 1.0 P P24 1 0.17701084 1.00000000 0.00000000 1.0 P P25 1 1.00000000 0.17701084 0.00000000 1.0 P P26 1 0.82298916 0.82298916 0.00000000 1.0 P P27 1 0.52154666 0.68868259 0.50000000 1.0 P P28 1 0.31131741 0.83286306 0.50000000 1.0 P P29 1 0.16713694 0.47845334 0.50000000 1.0 P P30 1 0.47845334 0.16713694 0.50000000 1.0 P P31 1 0.68868259 0.52154666 0.50000000 1.0 P P32 1 0.83286306 0.31131741 0.50000000 1.0 P P33 1 0.64364229 0.00000000 0.00000000 1.0 P P34 1 0.00000000 0.64364229 0.00000000 1.0 P P35 1 0.35635771 0.35635771 0.00000000 1.0