data_[Tl2Cr2Cu2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.5711]
_cell_length_b [9.0699]
_cell_length_c [6.0322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6079]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TlCrCuF6]
_chemical_formula_sum '[Tl2 Cr2 Cu2 F12]'
_cell_volume [304.6844]
_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  0.9928  0.5000  1.0
  Cr  Cr1  2  0.0000  0.3297  0.0000  1.0
  Cu  Cu2  2  0.0000  0.6651  0.0000  1.0
  F  F3  4  0.1172  0.4994  0.1828  1.0
  F  F4  4  0.1483  0.1918  0.2004  1.0
  F  F5  4  0.1946  0.8154  0.1564  1.0
]