# generated using pymatgen data_Nd4Ga2Ni3Cl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.10466085 _cell_length_b 11.10466084 _cell_length_c 4.06068804 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.07035589 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4Ga2Ni3Cl2 _chemical_formula_sum 'Nd8 Ga4 Ni6 Cl4' _cell_volume 500.01882314 _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 0.66144175 0.03851018 0.50000000 1.0 Nd Nd1 1 0.33855825 0.96148982 0.50000000 1.0 Nd Nd2 1 0.03851018 0.66144175 0.50000000 1.0 Nd Nd3 1 0.96148982 0.33855825 0.50000000 1.0 Nd Nd4 1 0.72905208 0.72905208 0.00000000 1.0 Nd Nd5 1 0.27094792 0.27094792 0.00000000 1.0 Nd Nd6 1 0.37473161 0.62526839 0.00000000 1.0 Nd Nd7 1 0.62526839 0.37473161 0.00000000 1.0 Ga Ga8 1 0.52720386 0.77986995 0.50000000 1.0 Ga Ga9 1 0.47279614 0.22013005 0.50000000 1.0 Ga Ga10 1 0.22013005 0.47279614 0.50000000 1.0 Ga Ga11 1 0.77986995 0.52720386 0.50000000 1.0 Ni Ni12 1 0.57440755 0.57440755 0.50000000 1.0 Ni Ni13 1 0.42559245 0.42559245 0.50000000 1.0 Ni Ni14 1 0.52027069 0.89543924 0.00000000 1.0 Ni Ni15 1 0.47972931 0.10456076 0.00000000 1.0 Ni Ni16 1 0.89543924 0.52027069 0.00000000 1.0 Ni Ni17 1 0.10456076 0.47972931 0.00000000 1.0 Cl Cl18 1 0.12842513 0.12842513 0.50000000 1.0 Cl Cl19 1 0.87157487 0.87157487 0.50000000 1.0 Cl Cl20 1 0.82687402 0.17312598 0.00000000 1.0 Cl Cl21 1 0.17312598 0.82687402 0.00000000 1.0