# generated using pymatgen data_Pr4GaI5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38492512 _cell_length_b 9.11904487 _cell_length_c 19.26915100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr4GaI5 _chemical_formula_sum 'Pr8 Ga2 I10' _cell_volume 770.50260988 _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 Pr Pr0 1 0.00000000 0.37166813 0.85040603 1.0 Pr Pr1 1 0.50000000 0.59438912 0.00000000 1.0 Pr Pr2 1 0.00000000 0.37166813 0.14959397 1.0 Pr Pr3 1 0.00000000 0.84511533 0.50000000 1.0 Pr Pr4 1 0.50000000 0.62833187 0.35040603 1.0 Pr Pr5 1 0.00000000 0.40561088 0.50000000 1.0 Pr Pr6 1 0.50000000 0.62833187 0.64959397 1.0 Pr Pr7 1 0.50000000 0.15488467 0.00000000 1.0 Ga Ga8 1 0.50000000 0.62490600 0.50000000 1.0 Ga Ga9 1 0.00000000 0.37509400 0.00000000 1.0 I I10 1 0.50000000 0.11782518 0.16918008 1.0 I I11 1 0.00000000 0.36656233 0.67101715 1.0 I I12 1 0.00000000 0.87359059 0.00000000 1.0 I I13 1 0.00000000 0.88217482 0.33081992 1.0 I I14 1 0.50000000 0.11782518 0.83081992 1.0 I I15 1 0.50000000 0.63343767 0.82898285 1.0 I I16 1 0.00000000 0.88217482 0.66918008 1.0 I I17 1 0.00000000 0.36656233 0.32898285 1.0 I I18 1 0.50000000 0.63343767 0.17101715 1.0 I I19 1 0.50000000 0.12640941 0.50000000 1.0