# generated using pymatgen data_Nd8GaNiI10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30261260 _cell_length_b 9.04711407 _cell_length_c 19.08148376 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd8GaNiI10 _chemical_formula_sum 'Nd8 Ga1 Ni1 I10' _cell_volume 742.77016854 _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 Nd Nd0 1 0.00000000 0.37051562 0.85805700 1.0 Nd Nd1 1 0.50000000 0.57861994 0.00000000 1.0 Nd Nd2 1 0.00000000 0.37051562 0.14194300 1.0 Nd Nd3 1 0.00000000 0.84597061 0.50000000 1.0 Nd Nd4 1 0.50000000 0.62935951 0.35030906 1.0 Nd Nd5 1 0.00000000 0.40574903 0.50000000 1.0 Nd Nd6 1 0.50000000 0.62935951 0.64969094 1.0 Nd Nd7 1 0.50000000 0.16730626 0.00000000 1.0 Ga Ga8 1 0.50000000 0.62500045 0.50000000 1.0 Ni Ni9 1 0.00000000 0.37433704 0.00000000 1.0 I I10 1 0.50000000 0.11280299 0.16953131 1.0 I I11 1 0.00000000 0.36788611 0.67276560 1.0 I I12 1 0.00000000 0.87119378 0.00000000 1.0 I I13 1 0.00000000 0.88641806 0.33117020 1.0 I I14 1 0.50000000 0.11280299 0.83046869 1.0 I I15 1 0.50000000 0.63529354 0.82741574 1.0 I I16 1 0.00000000 0.88641806 0.66882980 1.0 I I17 1 0.00000000 0.36788611 0.32723440 1.0 I I18 1 0.50000000 0.63529354 0.17258426 1.0 I I19 1 0.50000000 0.12727227 0.50000000 1.0