data_[Tm8Si8W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Si  1.9000  1.1000  0.5400
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3865]
_cell_length_b [3.9491]
_cell_length_c [10.0688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0001]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2Si2W]
_chemical_formula_sum '[Tm8 Si8 W4]'
_cell_volume [395.9934]
_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
[
  Tm  Tm0  4  0.0198  0.0000  0.6869  1.0
  Tm  Tm1  4  0.1839  0.0000  0.1115  1.0
  Si  Si2  4  0.0015  0.5000  0.8786  1.0
  Si  Si3  4  0.1226  0.5000  0.5551  1.0
  W  W4  4  0.2238  0.5000  0.3772  1.0
]