data_[Cd2Hg2S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8352]
_cell_length_b [4.2172]
_cell_length_c [8.4627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2466]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CdHgS2]
_chemical_formula_sum '[Cd2 Hg2 S4]'
_cell_volume [243.8841]
_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
[
  Cd  Cd0  2  0.0689  0.7500  0.8266  1.0
  Hg  Hg1  2  0.4567  0.7500  0.2965  1.0
  S  S2  2  0.1403  0.7500  0.1418  1.0
  S  S3  2  0.3484  0.7500  0.6405  1.0
]