# generated using pymatgen data_Sc3BeGe2Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.71244434 _cell_length_b 6.71244473 _cell_length_c 3.56819118 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000291 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3BeGe2Ir3 _chemical_formula_sum 'Sc3 Be1 Ge2 Ir3' _cell_volume 139.23235026 _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 Sc Sc0 1 0.39714403 0.39714403 0.50000000 1.0 Sc Sc1 1 0.60285597 1.00000000 0.50000000 1.0 Sc Sc2 1 0.00000000 0.60285597 0.50000000 1.0 Be Be3 1 0.00000000 0.00000000 0.50000000 1.0 Ge Ge4 1 0.66666700 0.33333300 0.00000000 1.0 Ge Ge5 1 0.33333300 0.66666700 0.00000000 1.0 Ir Ir6 1 0.76277294 0.76277294 0.00000000 1.0 Ir Ir7 1 0.23722706 0.00000000 0.00000000 1.0 Ir Ir8 1 0.00000000 0.23722706 0.00000000 1.0