data_[Tl6Re2F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Re  1.9000  1.3500  0.7125
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0889]
_cell_length_b [8.7644]
_cell_length_c [6.8158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.6247]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl3ReF7]
_chemical_formula_sum '[Tl6 Re2 F14]'
_cell_volume [430.0259]
_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  0.0051  0.2374  0.4933  1
  Tl  Tl1  2  0.4994  0.0000  0.9337  1
  Re  Re2  2  0.0439  0.0000  0.0379  1
  F  F3  4  0.1079  0.2191  0.1635  1
  F  F4  4  0.3677  0.3622  0.7479  1
  F  F5  2  0.1973  0.0000  0.9081  1
  F  F6  2  0.2865  0.0000  0.3963  1
  F  F7  2  0.3864  0.5000  0.1644  1
]