data_[Tl12Cu4F24]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.6517]
_cell_length_b [12.7705]
_cell_length_c [5.5921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl3CuF6]
_chemical_formula_sum '[Tl12 Cu4 F24]'
_cell_volume [760.6797]
_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  8  0.1778  0.1154  0.9986  1.0
  Tl  Tl1  4  0.0000  0.4038  0.1062  1.0
  Cu  Cu2  4  0.0000  0.1802  0.5595  1.0
  F  F3  8  0.1284  0.4846  0.8350  1.0
  F  F4  8  0.1342  0.2886  0.2634  1.0
  F  F5  4  0.0000  0.0647  0.3617  1.0
  F  F6  4  0.0000  0.2827  0.7930  1.0
]