data_[Rb1Mo1H2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9379]
_cell_length_b [7.0783]
_cell_length_c [9.5550]
_cell_angle_alpha [75.0031]
_cell_angle_beta [79.9184]
_cell_angle_gamma [75.1062]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbMo(HBr4)2]
_chemical_formula_sum '[Rb1 Mo1 H2 Br8]'
_cell_volume [435.0488]
_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  0.0000  0.0000  0.5000  1.0
  Mo  Mo1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.4355  0.7411  0.7668  1.0
  Br  Br3  2  0.0848  0.2318  0.7584  1.0
  Br  Br4  2  0.0873  0.2290  0.1281  1.0
  Br  Br5  2  0.3599  0.8014  0.9922  1.0
  Br  Br6  2  0.4914  0.7055  0.6186  1.0
]