data_[Rb1Hg2Mo1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
  Mo  2.1600  1.4500  0.7750
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9495]
_cell_length_b [7.6041]
_cell_length_c [9.4616]
_cell_angle_alpha [107.9501]
_cell_angle_beta [98.1017]
_cell_angle_gamma [98.9469]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbHg2MoBr8]
_chemical_formula_sum '[Rb1 Hg2 Mo1 Br8]'
_cell_volume [460.2829]
_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
  Hg  Hg1  2  0.3466  0.4587  0.2787  1.0
  Mo  Mo2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.0504  0.7397  0.7597  1.0
  Br  Br4  2  0.1662  0.8321  0.1692  1.0
  Br  Br5  2  0.3496  0.2116  0.0199  1.0
  Br  Br6  2  0.4951  0.7559  0.5028  1.0
]