data_[Tl1Mo1H2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0038]
_cell_length_b [5.0922]
_cell_length_c [8.1272]
_cell_angle_alpha [98.5405]
_cell_angle_beta [92.3629]
_cell_angle_gamma [110.0915]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlMoH2F8]
_chemical_formula_sum '[Tl1 Mo1 H2 F8]'
_cell_volume [191.3756]
_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  0.0000  0.0000  0.5000  1.0
  Mo  Mo1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.4559  0.6697  0.6957  1.0
  F  F3  2  0.2181  0.7652  0.9897  1.0
  F  F4  2  0.2215  0.2011  0.8369  1.0
  F  F5  2  0.2618  0.2553  0.1921  1.0
  F  F6  2  0.3136  0.6415  0.6030  1.0
]