data_[Tl8In2F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6494]
_cell_length_b [4.2608]
_cell_length_c [6.6080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8987]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl4InF7]
_chemical_formula_sum '[Tl8 In2 F14]'
_cell_volume [529.3420]
_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  0.0933  0.5000  0.5788  1
  Tl  Tl1  4  0.1940  0.5000  0.1597  1
  In  In2  2  0.0000  0.0000  0.0000  1
  F  F3  4  0.0799  0.0000  0.2918  1
  F  F4  4  0.0812  0.0000  0.8501  1
  F  F5  4  0.2222  0.5000  0.8012  1
  F  F6  2  0.0000  0.5000  0.0000  1
]