data_[Cs12Hg6Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.2449]
_cell_length_b [10.2969]
_cell_length_c [16.0450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs6Hg3Br]
_chemical_formula_sum '[Cs12 Hg6 Br2]'
_cell_volume [1287.6001]
_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  4  0.0830  0.0412  0.2437  1
  Cs  Cs1  4  0.2219  0.6840  0.0717  1
  Cs  Cs2  4  0.3909  0.1690  0.0663  1
  Hg  Hg3  4  0.3249  0.1288  0.7659  1
  Hg  Hg4  2  0.5000  0.0000  0.5000  1
  Br  Br5  2  0.0000  0.0000  0.0000  1
]