data_[Tl10As2S8F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.3819]
_cell_length_b [10.7907]
_cell_length_c [7.6765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Tl5As(S2F)2]
_chemical_formula_sum '[Tl10 As2 S8 F4]'
_cell_volume [694.3138]
_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  8  0.2707  0.1859  0.9127  1
  Tl  Tl1  2  0.5000  0.0000  0.2998  1
  As  As2  2  0.0000  0.0000  0.4086  1
  S  S3  4  0.0000  0.1658  0.2417  1
  S  S4  4  0.2169  0.0000  0.5694  1
  F  F5  4  0.5000  0.2370  0.2123  1
]