data_[Tl1H1Os1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
  Os  2.2000  1.3000  0.6730
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.2362]
_cell_length_b [6.8707]
_cell_length_c [6.9505]
_cell_angle_alpha [63.0217]
_cell_angle_beta [79.3945]
_cell_angle_gamma [82.2544]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlHOsCl6]
_chemical_formula_sum '[Tl1 H1 Os1 Cl6]'
_cell_volume [260.4219]
_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  0.9246  0.1021  0.1871  1.0
  H  H1  1  0.2094  0.4815  0.5931  1.0
  Os  Os2  1  0.6953  0.4885  0.6031  1.0
  Cl  Cl3  1  0.3990  0.3783  0.5089  1.0
  Cl  Cl4  1  0.5151  0.3785  0.9596  1.0
  Cl  Cl5  1  0.5260  0.8392  0.4992  1.0
  Cl  Cl6  1  0.8641  0.1375  0.7064  1.0
  Cl  Cl7  1  0.8772  0.5964  0.2475  1.0
  Cl  Cl8  1  0.9895  0.5979  0.6951  1.0
]