data_[Tl3Te1F3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.3719]
_cell_length_b [19.6820]
_cell_length_c [6.6831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3618]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tl3TeF3]
_chemical_formula_sum '[Tl3 Te1 F3]'
_cell_volume [557.0879]
_cell_formula_units_Z [1]
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  2  0.9239  0.3811  0.6593  1
  Tl  Tl1  1  0.2068  0.5000  0.2697  1
  Te  Te2  1  0.6013  0.5000  0.9898  1
  F  F3  2  0.3501  0.4008  0.4449  1
  F  F4  1  0.9354  0.5000  0.5415  1
]