# generated using pymatgen data_ErThIr7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29654322 _cell_length_b 5.29654304 _cell_length_c 13.44241179 _cell_angle_alpha 78.63791340 _cell_angle_beta 78.63791239 _cell_angle_gamma 60.00000250 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErThIr7 _chemical_formula_sum 'Er2 Th2 Ir14' _cell_volume 318.01991588 _cell_formula_units_Z 2 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 Er Er0 1 0.85176695 0.85176695 0.44469714 1.0 Er Er1 1 0.14823305 0.14823305 0.55530286 1.0 Th Th2 1 0.94879542 0.94879542 0.15361475 1.0 Th Th3 1 0.05120458 0.05120458 0.84638525 1.0 Ir Ir4 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir5 1 0.72279100 0.72279100 0.83162899 1.0 Ir Ir6 1 0.27720900 0.27720900 0.16837101 1.0 Ir Ir7 1 0.61032204 0.61032204 0.16903187 1.0 Ir Ir8 1 0.38967796 0.38967796 0.83096813 1.0 Ir Ir9 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir10 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir11 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir12 1 0.38803751 0.38803751 0.33380621 1.0 Ir Ir13 1 0.89011878 0.38803751 0.33380621 1.0 Ir Ir14 1 0.38803751 0.89011878 0.33380621 1.0 Ir Ir15 1 0.61196249 0.61196249 0.66619379 1.0 Ir Ir16 1 0.10988122 0.61196249 0.66619379 1.0 Ir Ir17 1 0.61196249 0.10988122 0.66619379 1.0