data_[Tl10Cu4F24]
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 [C2/m]
_cell_length_a [14.0833]
_cell_length_b [6.5884]
_cell_length_c [7.6100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2044]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5Cu2F12]
_chemical_formula_sum '[Tl10 Cu4 F24]'
_cell_volume [670.7668]
_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  4  0.1922  0.5000  0.3745  1.0
  Tl  Tl1  4  0.1936  0.5000  0.8423  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu3  4  0.0000  0.2470  0.0000  1.0
  F  F4  8  0.1187  0.2217  0.5700  1.0
  F  F5  8  0.1410  0.2511  0.0791  1.0
  F  F6  4  0.0007  0.5000  0.1698  1.0
  F  F7  4  0.0012  0.0000  0.1810  1.0
]