# generated using pymatgen data_Nd12Ga3SnI12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.93327936 _cell_length_b 10.93327976 _cell_length_c 10.93327938 _cell_angle_alpha 109.65447719 _cell_angle_beta 109.65447970 _cell_angle_gamma 109.65447426 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd12Ga3SnI12 _chemical_formula_sum 'Nd12 Ga3 Sn1 I12' _cell_volume 999.18854838 _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 0.75000000 0.23391999 0.26608001 1.0 Nd Nd1 1 0.48501110 0.75000000 0.01498890 1.0 Nd Nd2 1 0.02472073 0.26711805 0.00480204 1.0 Nd Nd3 1 0.26711805 0.00480204 0.02472073 1.0 Nd Nd4 1 0.23391999 0.26608001 0.75000000 1.0 Nd Nd5 1 0.26608001 0.75000000 0.23391999 1.0 Nd Nd6 1 0.23288195 0.47527927 0.49519796 1.0 Nd Nd7 1 0.47527927 0.49519796 0.23288195 1.0 Nd Nd8 1 0.75000000 0.01498890 0.48501110 1.0 Nd Nd9 1 0.49519796 0.23288195 0.47527927 1.0 Nd Nd10 1 0.00480204 0.02472073 0.26711805 1.0 Nd Nd11 1 0.01498890 0.48501110 0.75000000 1.0 Ga Ga12 1 0.99978831 0.25000000 0.50021169 1.0 Ga Ga13 1 0.25000000 0.50021169 0.99978831 1.0 Ga Ga14 1 0.50021169 0.99978831 0.25000000 1.0 Sn Sn15 1 0.25000000 0.25000000 0.25000000 1.0 I I16 1 0.75778089 0.74221911 0.25000000 1.0 I I17 1 0.50650262 0.25000000 0.99349738 1.0 I I18 1 0.25000000 0.99349738 0.50650262 1.0 I I19 1 0.51493903 0.50731953 0.75784631 1.0 I I20 1 0.50731953 0.75784631 0.51493903 1.0 I I21 1 0.75784631 0.51493903 0.50731953 1.0 I I22 1 0.74221911 0.25000000 0.75778089 1.0 I I23 1 0.25000000 0.75778089 0.74221911 1.0 I I24 1 0.98506097 0.74215369 0.99268047 1.0 I I25 1 0.99349738 0.50650262 0.25000000 1.0 I I26 1 0.99268047 0.98506097 0.74215369 1.0 I I27 1 0.74215369 0.99268047 0.98506097 1.0