data_[Tl1Cd2Cu1F8]
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
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.9402]
_cell_length_b [5.4653]
_cell_length_c [7.9585]
_cell_angle_alpha [86.2495]
_cell_angle_beta [89.5519]
_cell_angle_gamma [86.4653]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlCd2CuF8]
_chemical_formula_sum '[Tl1 Cd2 Cu1 F8]'
_cell_volume [170.6879]
_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
[
  Tl  Tl0  1  0.0000  0.0000  0.5000  1.0
  Cd  Cd1  2  0.4805  0.4720  0.7654  1.0
  Cu  Cu2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.0397  0.3301  0.2783  1.0
  F  F4  2  0.0614  0.1678  0.7795  1.0
  F  F5  2  0.3950  0.7522  0.9822  1.0
  F  F6  2  0.4885  0.7500  0.4730  1.0
]