# generated using pymatgen data_Nd3(SiNi3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.72884198 _cell_length_b 7.72884198 _cell_length_c 7.72884198 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3(SiNi3)2 _chemical_formula_sum 'Nd6 Si4 Ni12' _cell_volume 355.40324925 _cell_formula_units_Z 2 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 Nd Nd0 1 0.71551500 0.71551500 0.00000000 1.0 Nd Nd1 1 0.28448500 0.00000000 0.28448500 1.0 Nd Nd2 1 0.00000000 0.28448500 0.28448500 1.0 Nd Nd3 1 0.28448500 0.28448500 0.00000000 1.0 Nd Nd4 1 0.71551500 0.00000000 0.71551500 1.0 Nd Nd5 1 0.00000000 0.71551500 0.71551500 1.0 Si Si6 1 0.00000000 0.00000000 0.50000000 1.0 Si Si7 1 0.00000000 0.50000000 0.00000000 1.0 Si Si8 1 0.50000000 0.00000000 0.00000000 1.0 Si Si9 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni10 1 0.33069600 0.33069600 0.66139300 1.0 Ni Ni11 1 0.66930400 0.00000000 0.33069600 1.0 Ni Ni12 1 0.00000000 0.66930400 0.33069600 1.0 Ni Ni13 1 0.66930400 0.33069600 0.00000000 1.0 Ni Ni14 1 0.33069600 0.66139300 0.33069600 1.0 Ni Ni15 1 0.00000000 0.33069600 0.66930400 1.0 Ni Ni16 1 0.33069600 0.66930400 0.00000000 1.0 Ni Ni17 1 0.33069600 0.00000000 0.66930400 1.0 Ni Ni18 1 0.66139300 0.33069600 0.33069600 1.0 Ni Ni19 1 0.66930400 0.66930400 0.33860700 1.0 Ni Ni20 1 0.66930400 0.33860700 0.66930400 1.0 Ni Ni21 1 0.33860700 0.66930400 0.66930400 1.0