# generated using pymatgen data_Er4TmIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.71291637 _cell_length_b 10.71291637 _cell_length_c 6.29375580 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er4TmIr3 _chemical_formula_sum 'Er16 Tm4 Ir12' _cell_volume 722.31281139 _cell_formula_units_Z 4 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 0.29132714 0.08778344 0.38361136 1.0 Er Er1 1 0.29132714 0.91221656 0.88361136 1.0 Er Er2 1 0.70867286 0.08778344 0.88361136 1.0 Er Er3 1 0.70867286 0.91221656 0.38361136 1.0 Er Er4 1 0.58778344 0.79132714 0.88361136 1.0 Er Er5 1 0.58778344 0.20867286 0.38361136 1.0 Er Er6 1 0.41221656 0.79132714 0.38361136 1.0 Er Er7 1 0.41221656 0.20867286 0.88361136 1.0 Er Er8 1 0.20867286 0.41221656 0.61638864 1.0 Er Er9 1 0.20867286 0.58778344 0.11638864 1.0 Er Er10 1 0.79132714 0.41221656 0.11638864 1.0 Er Er11 1 0.79132714 0.58778344 0.61638864 1.0 Er Er12 1 0.91221656 0.70867286 0.11638864 1.0 Er Er13 1 0.91221656 0.29132714 0.61638864 1.0 Er Er14 1 0.08778344 0.70867286 0.61638864 1.0 Er Er15 1 0.08778344 0.29132714 0.11638864 1.0 Tm Tm16 1 0.00000000 0.00000000 0.50000000 1.0 Tm Tm17 1 0.00000000 0.00000000 0.00000000 1.0 Tm Tm18 1 0.50000000 0.50000000 0.00000000 1.0 Tm Tm19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.84691337 0.15308663 0.25000000 1.0 Ir Ir21 1 0.84691337 0.84691337 0.75000000 1.0 Ir Ir22 1 0.15308663 0.15308663 0.75000000 1.0 Ir Ir23 1 0.15308663 0.84691337 0.25000000 1.0 Ir Ir24 1 0.65308663 0.34691337 0.75000000 1.0 Ir Ir25 1 0.65308663 0.65308663 0.25000000 1.0 Ir Ir26 1 0.34691337 0.34691337 0.25000000 1.0 Ir Ir27 1 0.34691337 0.65308663 0.75000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.13103576 1.0 Ir Ir29 1 0.50000000 0.00000000 0.63103576 1.0 Ir Ir30 1 0.00000000 0.50000000 0.86896424 1.0 Ir Ir31 1 0.00000000 0.50000000 0.36896424 1.0