data_[Tl4In4F12]
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 [16.1201]
_cell_length_b [4.4221]
_cell_length_c [5.6689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4795]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlInF3]
_chemical_formula_sum '[Tl4 In4 F12]'
_cell_volume [399.6856]
_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  4  0.1872  0.5000  0.2418  1.0
  In  In1  4  0.0445  0.0000  0.8091  1.0
  F  F2  4  0.0709  0.5000  0.8039  1.0
  F  F3  4  0.0802  0.0000  0.4639  1.0
  F  F4  4  0.1776  0.0000  0.9713  1.0
]