data_[Cs8Rb4Hg4Br20]
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
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.9554]
_cell_length_b [20.2056]
_cell_length_c [15.3257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2RbHgBr5]
_chemical_formula_sum '[Cs8 Rb4 Hg4 Br20]'
_cell_volume [1534.5176]
_cell_formula_units_Z [4]
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  4  0.0000  0.1027  0.6935  1.0
  Cs  Cs1  4  0.0000  0.1556  0.3220  1.0
  Rb  Rb2  4  0.0000  0.2040  0.0279  1.0
  Hg  Hg3  4  0.0000  0.4851  0.4340  1.0
  Br  Br4  4  0.0000  0.0319  0.0198  1.0
  Br  Br5  4  0.0000  0.2776  0.6763  1.0
  Br  Br6  4  0.0000  0.3493  0.3816  1.0
  Br  Br7  4  0.0000  0.3809  0.0013  1.0
  Br  Br8  4  0.0000  0.4749  0.7676  1.0
]