data_[Tl4Cd4W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [3.4469]
_cell_length_b [4.7937]
_cell_length_c [15.1212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [TlCdW]
_chemical_formula_sum '[Tl4 Cd4 W4]'
_cell_volume [249.8506]
_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
[
  Tl  Tl0  4  0.0000  0.0000  0.6743  1
  Cd  Cd1  4  0.0000  0.0000  0.9886  1
  W  W2  4  0.0000  0.0000  0.3371  1
]