data_[Tl2Ga2Cu2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.5504]
_cell_length_b [9.0254]
_cell_length_c [6.0397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TlGaCuF6]
_chemical_formula_sum '[Tl2 Ga2 Cu2 F12]'
_cell_volume [302.4152]
_cell_formula_units_Z [2]
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  2  0.0000  0.0080  0.0000  1.0
  Ga  Ga1  2  0.0000  0.6731  0.5000  1.0
  Cu  Cu2  2  0.0000  0.3354  0.5000  1.0
  F  F3  4  0.1141  0.5028  0.6790  1.0
  F  F4  4  0.1516  0.8029  0.7025  1.0
  F  F5  4  0.1956  0.1860  0.6585  1.0
]