# generated using pymatgen data_Lu2BeGaI2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99852399 _cell_length_b 3.99852312 _cell_length_c 11.62924251 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999083 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2BeGaI2 _chemical_formula_sum 'Lu2 Be1 Ga1 I2' _cell_volume 161.02059099 _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 Lu Lu0 1 0.00000000 0.00000000 0.84082095 1.0 Lu Lu1 1 0.00000000 0.00000000 0.16010743 1.0 Be Be2 1 0.33333300 0.66666700 0.99084787 1.0 Ga Ga3 1 0.66666700 0.33333300 0.00855277 1.0 I I4 1 0.66666700 0.33333300 0.66640494 1.0 I I5 1 0.33333300 0.66666700 0.33326506 1.0