data_[Cd4Hg4As4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [11.0642]
_cell_length_b [4.8049]
_cell_length_c [10.2127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [CdHgAsBr]
_chemical_formula_sum '[Cd4 Hg4 As4 Br4]'
_cell_volume [542.9270]
_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
[
  Cd  Cd0  4  0.0773  0.0000  0.2806  1
  Hg  Hg1  2  0.0000  0.5000  0.0000  1
  Hg  Hg2  2  0.2500  0.5000  0.7404  1
  As  As3  4  0.0200  0.5000  0.7503  1
  Br  Br4  2  0.2500  0.0000  0.0752  1
  Br  Br5  2  0.2500  0.0000  0.4748  1
]