data_[Cr2Hg2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.1861]
_cell_length_b [3.6053]
_cell_length_c [6.7728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9412]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CrHgBr2]
_chemical_formula_sum '[Cr2 Hg2 Br4]'
_cell_volume [279.0035]
_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
[
  Cr  Cr0  2  0.4271  0.0000  0.2309  1.0
  Hg  Hg1  2  0.2012  0.0000  0.7725  1.0
  Br  Br2  2  0.0160  0.0000  0.1068  1.0
  Br  Br3  2  0.3557  0.5000  0.3898  1.0
]