data_[Cs4Hg4Br10]
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 [C2/m]
_cell_length_a [15.7922]
_cell_length_b [5.8379]
_cell_length_c [8.7343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Hg2Br5]
_chemical_formula_sum '[Cs4 Hg4 Br10]'
_cell_volume [752.8797]
_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  0.1032  0.5000  0.3017  1
  Hg  Hg1  4  0.1428  0.0000  0.8738  1
  Br  Br2  4  0.1504  0.0000  0.5644  1
  Br  Br3  4  0.1534  0.5000  0.9136  1
  Br  Br4  2  0.0000  0.0000  0.0000  1
]