data_[Ce2Hg2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [6.8433]
_cell_length_b [4.2216]
_cell_length_c [10.0536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeHgS3]
_chemical_formula_sum '[Ce2 Hg2 S6]'
_cell_volume [290.4402]
_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
[
  Ce  Ce0  2  0.2563  0.2500  0.4273  1
  Hg  Hg1  2  0.1301  0.2500  0.8918  1
  S  S2  2  0.0010  0.7500  0.3627  1
  S  S3  2  0.2500  0.7500  0.9900  1
  S  S4  2  0.4950  0.7500  0.3638  1
]