# generated using pymatgen data_InGaSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.62889241 _cell_length_b 6.62889241 _cell_length_c 6.62889241 _cell_angle_alpha 103.10502709 _cell_angle_beta 103.10502709 _cell_angle_gamma 123.12903943 _symmetry_Int_Tables_number 1 _chemical_formula_structural InGaSe2 _chemical_formula_sum 'In2 Ga2 Se4' _cell_volume 214.50688751 _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 In In0 1 0.59840700 0.59840700 0.00000000 1.0 In In1 1 0.09840700 0.09840700 0.00000000 1.0 Ga Ga2 1 0.24960100 0.74960100 0.50000000 1.0 Ga Ga3 1 0.74960100 0.24960100 0.50000000 1.0 Se Se4 1 0.16181500 0.33917700 0.50000000 1.0 Se Se5 1 0.83917700 0.66181500 0.50000000 1.0 Se Se6 1 0.33917700 0.83917700 0.17736200 1.0 Se Se7 1 0.66181500 0.16181500 0.82263800 1.0