data_[Tl1Mo1H2Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8236]
_cell_length_b [7.3530]
_cell_length_c [7.8455]
_cell_angle_alpha [70.7367]
_cell_angle_beta [85.6099]
_cell_angle_gamma [84.1239]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlMo(HCl4)2]
_chemical_formula_sum '[Tl1 Mo1 H2 Cl8]'
_cell_volume [369.2668]
_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  0.5000  0.5000  1
  Mo  Mo1  1  0.0000  0.0000  0.0000  1
  H  H2  2  0.3069  0.7996  0.6678  1
  Cl  Cl3  2  0.1617  0.6868  0.0943  1
  Cl  Cl4  2  0.1659  0.0643  0.7069  1
  Cl  Cl5  2  0.2552  0.1161  0.0989  1
  Cl  Cl6  2  0.3879  0.6411  0.6407  1
]