data_[Rb1H1Os1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [P1]
_cell_length_a [6.6296]
_cell_length_b [6.9271]
_cell_length_c [7.3713]
_cell_angle_alpha [96.1756]
_cell_angle_beta [98.4970]
_cell_angle_gamma [111.6958]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbHOsBr6]
_chemical_formula_sum '[Rb1 H1 Os1 Br6]'
_cell_volume [306.2025]
_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
[
  Rb  Rb0  1  0.8631  0.1381  0.9186  1.0
  H  H1  1  0.2214  0.4983  0.3927  1.0
  Os  Os2  1  0.7028  0.4812  0.3854  1.0
  Br  Br3  1  0.4258  0.1817  0.1373  1.0
  Br  Br4  1  0.4481  0.6793  0.3639  1.0
  Br  Br5  1  0.5209  0.3058  0.6272  1.0
  Br  Br6  1  0.8744  0.6528  0.1350  1.0
  Br  Br7  1  0.9590  0.2874  0.4123  1.0
  Br  Br8  1  0.9843  0.7753  0.6276  1.0
]