data_[Tl2As2H4F16]
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
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7617]
_cell_length_b [5.4895]
_cell_length_c [7.9142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlAsH2F8]
_chemical_formula_sum '[Tl2 As2 H4 F16]'
_cell_volume [370.9623]
_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  2  0.0000  0.0000  0.5000  1.0
  As  As1  2  0.0000  0.0000  0.0000  1.0
  H  H2  4  0.2120  0.5000  0.7369  1.0
  F  F3  8  0.0035  0.2260  0.8412  1.0
  F  F4  4  0.1828  0.5000  0.6108  1.0
  F  F5  4  0.2102  0.0000  0.0602  1.0
]