data_[Cs2Rb4Mo2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Mo  2.1600  1.4500  0.7750
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.3280]
_cell_length_b [11.2293]
_cell_length_c [9.2283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [CsRb2MoCl6]
_chemical_formula_sum '[Cs2 Rb4 Mo2 Cl12]'
_cell_volume [759.3778]
_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
[
  Cs  Cs0  2  0.0000  0.5000  0.6707  1.0
  Rb  Rb1  4  0.0000  0.2998  0.1604  1.0
  Mo  Mo2  2  0.0000  0.0000  0.8205  1.0
  Cl  Cl3  4  0.0000  0.2202  0.8171  1.0
  Cl  Cl4  4  0.2319  0.0000  0.0166  1.0
  Cl  Cl5  4  0.2426  0.0000  0.6365  1.0
]