data_[Rb4Mo2Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7213]
_cell_length_b [10.7907]
_cell_length_c [6.7536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9253]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2MoBr8]
_chemical_formula_sum '[Rb4 Mo2 Br16]'
_cell_volume [922.1280]
_cell_formula_units_Z [2]
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  4  0.1318  0.5000  0.7829  1
  Mo  Mo1  2  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.1221  0.1611  0.8898  1
  Br  Br3  4  0.0984  0.0000  0.3382  1
  Br  Br4  4  0.1361  0.5000  0.2821  1
]