data_[Cs2Hg4Br2]
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/m]
_cell_length_a [7.1869]
_cell_length_b [5.6438]
_cell_length_c [8.7048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsHg2Br]
_chemical_formula_sum '[Cs2 Hg4 Br2]'
_cell_volume [351.9642]
_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  0.2403  0.7500  0.8683  1.0
  Hg  Hg1  2  0.1231  0.7500  0.3971  1.0
  Hg  Hg2  2  0.3715  0.2500  0.5293  1.0
  Br  Br3  2  0.2587  0.2500  0.1219  1.0
]