data_[Tl4Cu4W4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.9122]
_cell_length_b [2.9331]
_cell_length_c [9.4347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TlCuWO3]
_chemical_formula_sum '[Tl4 Cu4 W4 O12]'
_cell_volume [329.6488]
_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  0.2090  0.7500  0.5376  1
  Cu  Cu1  4  0.0325  0.2500  0.4008  1
  W  W2  4  0.0098  0.7500  0.1182  1
  O  O3  4  0.0597  0.2500  0.6933  1
  O  O4  4  0.1109  0.7500  0.9288  1
  O  O5  4  0.1166  0.2500  0.1923  1
]