# generated using pymatgen data_Tm4B16RuW3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56864453 _cell_length_b 5.97518310 _cell_length_c 11.54595515 _cell_angle_alpha 89.87689623 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4B16RuW3 _chemical_formula_sum 'Tm4 B16 Ru1 W3' _cell_volume 246.19734924 _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 Tm Tm0 1 0.50000000 0.12941104 0.14926289 1.0 Tm Tm1 1 0.50000000 0.87360045 0.85121116 1.0 Tm Tm2 1 0.50000000 0.62857119 0.34995548 1.0 Tm Tm3 1 0.50000000 0.37161281 0.65033101 1.0 B B4 1 0.00000000 0.47461094 0.19231198 1.0 B B5 1 0.00000000 0.52206346 0.80750325 1.0 B B6 1 0.00000000 0.97795094 0.30604241 1.0 B B7 1 0.00000000 0.02415712 0.69534171 1.0 B B8 1 0.00000000 0.28981463 0.31348043 1.0 B B9 1 0.00000000 0.70812250 0.68800902 1.0 B B10 1 0.00000000 0.78911788 0.18625737 1.0 B B11 1 0.00000000 0.21318239 0.81509106 1.0 B B12 1 0.00000000 0.36763820 0.46840436 1.0 B B13 1 0.00000000 0.63181964 0.53268078 1.0 B B14 1 0.00000000 0.86784221 0.02863113 1.0 B B15 1 0.00000000 0.13599861 0.96818908 1.0 B B16 1 0.00000000 0.38376439 0.04609613 1.0 B B17 1 0.00000000 0.61242422 0.95007867 1.0 B B18 1 0.00000000 0.88420037 0.45291845 1.0 B B19 1 0.00000000 0.11469572 0.54856332 1.0 Ru Ru20 1 0.50000000 0.36339746 0.91069602 1.0 W W21 1 0.50000000 0.13048662 0.41586071 1.0 W W22 1 0.50000000 0.86885955 0.58627477 1.0 W W23 1 0.50000000 0.63665868 0.08681084 1.0