data_[Sb4Te4W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7031]
_cell_length_b [3.4586]
_cell_length_c [6.7151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SbTeW]
_chemical_formula_sum '[Sb4 Te4 W4]'
_cell_volume [319.2756]
_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
[
  Sb  Sb0  4  0.1607  0.5000  0.3685  1
  Te  Te1  4  0.0975  0.0000  0.8133  1
  W  W2  4  0.2404  0.5000  0.8247  1
]