# generated using pymatgen data_Zr3In3Cu2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.47052691 _cell_length_b 7.47052649 _cell_length_c 3.46170315 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001471 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3In3Cu2Ru _chemical_formula_sum 'Zr3 In3 Cu2 Ru1' _cell_volume 167.31036079 _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 0.01920474 0.61279303 0.50000000 1.0 Zr Zr1 1 0.38720697 0.40641271 0.50000000 1.0 Zr Zr2 1 0.59358729 0.98079526 0.50000000 1.0 In In3 1 0.74169118 0.72522586 0.00000000 1.0 In In4 1 0.98353368 0.25830882 0.00000000 1.0 In In5 1 0.27477414 0.01646632 0.00000000 1.0 Cu Cu6 1 0.00000000 0.00000000 0.50000000 1.0 Cu Cu7 1 0.66666700 0.33333300 0.00000000 1.0 Ru Ru8 1 0.33333300 0.66666700 0.00000000 1.0