# generated using pymatgen data_Zr3Ga3CuRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.20238594 _cell_length_b 7.20238551 _cell_length_c 3.34205552 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000645 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Ga3CuRu2 _chemical_formula_sum 'Zr3 Ga3 Cu1 Ru2' _cell_volume 150.14020885 _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 Zr Zr0 1 0.39894819 1.00000000 0.50000000 1.0 Zr Zr1 1 1.00000000 0.39894819 0.50000000 1.0 Zr Zr2 1 0.60105181 0.60105181 0.50000000 1.0 Ga Ga3 1 0.73551485 0.00000000 0.00000000 1.0 Ga Ga4 1 0.00000000 0.73551485 0.00000000 1.0 Ga Ga5 1 0.26448515 0.26448515 0.00000000 1.0 Cu Cu6 1 0.00000000 0.00000000 0.50000000 1.0 Ru Ru7 1 0.33333300 0.66666700 0.00000000 1.0 Ru Ru8 1 0.66666700 0.33333300 0.00000000 1.0