# generated using pymatgen data_Nb8Ni3As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23825975 _cell_length_b 6.23825975 _cell_length_c 4.96153596 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb8Ni3As _chemical_formula_sum 'Nb8 Ni3 As1' _cell_volume 193.08256157 _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 Nb Nb0 1 0.66200892 0.15326966 0.49524815 1.0 Nb Nb1 1 0.33799108 0.84673034 0.49524815 1.0 Nb Nb2 1 0.84673034 0.66200892 0.49524815 1.0 Nb Nb3 1 0.15326966 0.33799108 0.49524815 1.0 Nb Nb4 1 0.33799108 0.15326966 0.00475185 1.0 Nb Nb5 1 0.66200892 0.84673034 0.00475185 1.0 Nb Nb6 1 0.15326966 0.66200892 0.00475185 1.0 Nb Nb7 1 0.84673034 0.33799108 0.00475185 1.0 Ni Ni8 1 0.50000000 0.50000000 0.25000000 1.0 Ni Ni9 1 0.00000000 0.00000000 0.25000000 1.0 Ni Ni10 1 0.00000000 0.00000000 0.75000000 1.0 As As11 1 0.50000000 0.50000000 0.75000000 1.0