data_[Tl1H2Os1Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0322]
_cell_length_b [7.2234]
_cell_length_c [9.0353]
_cell_angle_alpha [91.8906]
_cell_angle_beta [92.4701]
_cell_angle_gamma [93.4559]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlH2OsBr8]
_chemical_formula_sum '[Tl1 H2 Os1 Br8]'
_cell_volume [457.4099]
_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
  H  H1  2  0.2460  0.6831  0.7414  1.0
  Os  Os2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.1990  0.7270  0.9819  1.0
  Br  Br4  2  0.1998  0.1649  0.8191  1.0
  Br  Br5  2  0.2198  0.1366  0.2035  1.0
  Br  Br6  2  0.2826  0.6470  0.5833  1.0
]