data_[Tl1Si1Te1Br1F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8826]
_cell_length_b [5.9484]
_cell_length_c [6.6428]
_cell_angle_alpha [78.3127]
_cell_angle_beta [82.3696]
_cell_angle_gamma [88.9358]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlSiTeBrF]
_chemical_formula_sum '[Tl1 Si1 Te1 Br1 F1]'
_cell_volume [148.9012]
_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  1  0.8350  0.8920  0.9653  1
  Si  Si1  1  0.9901  0.1523  0.3610  1
  Te  Te2  1  0.4452  0.8746  0.5214  1
  Br  Br3  1  0.3153  0.4154  0.0472  1
  F  F4  1  0.9228  0.3543  0.4968  1
]