# generated using pymatgen data_Er4GaI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22344944 _cell_length_b 13.89241948 _cell_length_c 14.53877487 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er4GaI6 _chemical_formula_sum 'Er8 Ga2 I12' _cell_volume 853.04707742 _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 Er Er0 1 0.50000000 0.11500171 0.34636198 1.0 Er Er1 1 0.50000000 0.88499829 0.65363802 1.0 Er Er2 1 0.50000000 0.61500171 0.15363802 1.0 Er Er3 1 0.50000000 0.38499829 0.84636198 1.0 Er Er4 1 0.00000000 0.10940826 0.57494787 1.0 Er Er5 1 0.00000000 0.89059174 0.42505213 1.0 Er Er6 1 0.00000000 0.60940826 0.92505213 1.0 Er Er7 1 0.00000000 0.39059174 0.07494787 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 0.25036984 0.16647069 1.0 I I11 1 0.50000000 0.74963016 0.83352931 1.0 I I12 1 0.50000000 0.75036984 0.33352931 1.0 I I13 1 0.50000000 0.24963016 0.66647069 1.0 I I14 1 0.00000000 0.25841654 0.41452425 1.0 I I15 1 0.00000000 0.74158346 0.58547575 1.0 I I16 1 0.00000000 0.75841654 0.08547575 1.0 I I17 1 0.00000000 0.24158346 0.91452425 1.0 I I18 1 0.00000000 0.00128864 0.23767556 1.0 I I19 1 0.00000000 0.99871136 0.76232444 1.0 I I20 1 0.00000000 0.50128864 0.26232444 1.0 I I21 1 0.00000000 0.49871136 0.73767556 1.0