# generated using pymatgen data_Pr4GaI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43667359 _cell_length_b 14.56429134 _cell_length_c 15.38975625 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr4GaI6 _chemical_formula_sum 'Pr8 Ga2 I12' _cell_volume 994.43998332 _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 0.50000000 0.11636541 0.34432438 1.0 Pr Pr1 1 0.50000000 0.88363459 0.65567562 1.0 Pr Pr2 1 0.50000000 0.61636541 0.15567562 1.0 Pr Pr3 1 0.50000000 0.38363459 0.84432438 1.0 Pr Pr4 1 0.00000000 0.11457107 0.57698451 1.0 Pr Pr5 1 0.00000000 0.88542893 0.42301549 1.0 Pr Pr6 1 0.00000000 0.61457107 0.92301549 1.0 Pr Pr7 1 0.00000000 0.38542893 0.07698451 1.0 Ga Ga8 1 0.50000000 0.00000000 0.50000000 1.0 Ga Ga9 1 0.50000000 0.50000000 0.00000000 1.0 I I10 1 0.50000000 0.24647796 0.16521036 1.0 I I11 1 0.50000000 0.75352204 0.83478964 1.0 I I12 1 0.50000000 0.74647796 0.33478964 1.0 I I13 1 0.50000000 0.25352204 0.66521036 1.0 I I14 1 0.00000000 0.25881797 0.41488931 1.0 I I15 1 0.00000000 0.74118203 0.58511069 1.0 I I16 1 0.00000000 0.75881797 0.08511069 1.0 I I17 1 0.00000000 0.24118203 0.91488931 1.0 I I18 1 0.00000000 0.99866916 0.24018906 1.0 I I19 1 0.00000000 0.00133084 0.75981094 1.0 I I20 1 0.00000000 0.49866916 0.25981094 1.0 I I21 1 0.00000000 0.50133084 0.74018906 1.0