# generated using pymatgen data_Sc2Ga3Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26245615 _cell_length_b 4.24960496 _cell_length_c 7.37283938 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Ga3Cu _chemical_formula_sum 'Sc2 Ga3 Cu1' _cell_volume 102.21814989 _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 -0.00000000 0.00000000 0.00314241 1.0 Sc Sc1 1 -0.00000000 0.50000000 0.49792504 1.0 Ga Ga2 1 0.50000000 0.50000000 0.83656638 1.0 Ga Ga3 1 0.50000000 0.50000000 0.17673769 1.0 Ga Ga4 1 0.50000000 0.00000000 0.65554071 1.0 Cu Cu5 1 0.50000000 -0.00000000 0.33008776 1.0