data_[Cd4In4Hg4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.7713]
_cell_length_b [16.9961]
_cell_length_c [7.5871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CdInHgBr3]
_chemical_formula_sum '[Cd4 In4 Hg4 Br12]'
_cell_volume [954.2332]
_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  0.0000  0.0499  0.2500  1.0
  In  In1  4  0.0000  0.3893  0.2500  1.0
  Hg  Hg2  4  0.0000  0.2666  0.7500  1.0
  Br  Br3  8  0.2430  0.9670  0.5084  1.0
  Br  Br4  4  0.0000  0.2004  0.2500  1.0
]