# generated using pymatgen data_Er4B12IrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62706792 _cell_length_b 9.13801912 _cell_length_c 11.54026415 _cell_angle_alpha 90.38596370 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er4B12IrW _chemical_formula_sum 'Er8 B24 Ir2 W2' _cell_volume 382.48432889 _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 0.00000000 0.31665425 0.41058607 1.0 Er Er1 1 0.00000000 0.68334575 0.58941393 1.0 Er Er2 1 0.00000000 0.82560800 0.08251594 1.0 Er Er3 1 0.00000000 0.17439200 0.91748406 1.0 Er Er4 1 0.00000000 0.94528352 0.37312080 1.0 Er Er5 1 0.00000000 0.05471648 0.62687920 1.0 Er Er6 1 0.00000000 0.44320211 0.12588136 1.0 Er Er7 1 0.00000000 0.55679789 0.87411864 1.0 B B8 1 0.50000000 0.55385749 0.43402841 1.0 B B9 1 0.50000000 0.44614251 0.56597159 1.0 B B10 1 0.50000000 0.05146857 0.06625470 1.0 B B11 1 0.50000000 0.94853143 0.93374530 1.0 B B12 1 0.50000000 0.74920249 0.42117747 1.0 B B13 1 0.50000000 0.25079751 0.57882253 1.0 B B14 1 0.50000000 0.24941371 0.07919331 1.0 B B15 1 0.50000000 0.75058629 0.92080669 1.0 B B16 1 0.50000000 0.79071255 0.26641826 1.0 B B17 1 0.50000000 0.20928745 0.73358174 1.0 B B18 1 0.50000000 0.29547846 0.23602448 1.0 B B19 1 0.50000000 0.70452154 0.76397552 1.0 B B20 1 0.50000000 0.63154806 0.18489414 1.0 B B21 1 0.50000000 0.36845194 0.81510586 1.0 B B22 1 0.50000000 0.13230227 0.31708807 1.0 B B23 1 0.50000000 0.86769773 0.68291193 1.0 B B24 1 0.50000000 0.97902587 0.21382304 1.0 B B25 1 0.50000000 0.02097413 0.78617696 1.0 B B26 1 0.50000000 0.48239977 0.28786741 1.0 B B27 1 0.50000000 0.51760023 0.71213259 1.0 B B28 1 0.50000000 0.60664091 0.03045595 1.0 B B29 1 0.50000000 0.39335909 0.96954405 1.0 B B30 1 0.50000000 0.10861659 0.47126216 1.0 B B31 1 0.50000000 0.89138341 0.52873784 1.0 Ir Ir32 1 0.00000000 0.63708685 0.32257534 1.0 Ir Ir33 1 0.00000000 0.36291315 0.67742466 1.0 W W34 1 0.00000000 0.13896828 0.18105438 1.0 W W35 1 0.00000000 0.86103172 0.81894562 1.0