data_[Rb4Ce4Hg4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [Cmcm]
_cell_length_a [4.2786]
_cell_length_b [15.1074]
_cell_length_c [11.1099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbCeHgS3]
_chemical_formula_sum '[Rb4 Ce4 Hg4 S12]'
_cell_volume [718.1196]
_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
[
  Rb  Rb0  4  0.0000  0.2559  0.2500  1
  Ce  Ce1  4  0.0000  0.0000  0.0000  1
  Hg  Hg2  4  0.0000  0.4598  0.7500  1
  S  S3  8  0.0000  0.3752  0.5549  1
  S  S4  4  0.0000  0.0669  0.7500  1
]