data_[Tl6Cr4F14]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.7534]
_cell_length_b [21.4158]
_cell_length_c [4.1123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tl3Cr2F7]
_chemical_formula_sum '[Tl6 Cr4 F14]'
_cell_volume [418.6259]
_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  0.0000  0.3133  0.5000  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  Cr  Cr2  4  0.0000  0.0969  0.0000  1.0
  F  F3  4  0.0000  0.0956  0.5000  1.0
  F  F4  4  0.0000  0.1903  0.0000  1.0
  F  F5  4  0.0000  0.4027  0.0000  1.0
  F  F6  2  0.0000  0.0000  0.0000  1.0
]