data_[Ce4Cd4In4Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6093]
_cell_length_b [14.4877]
_cell_length_c [9.2903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CeCdInHg3]
_chemical_formula_sum '[Ce4 Cd4 In4 Hg12]'
_cell_volume [620.3970]
_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
[
  Ce  Ce0  4  0.0000  0.1868  0.2500  1.0
  Cd  Cd1  4  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.0000  0.4940  0.7500  1.0
  Hg  Hg3  8  0.0000  0.3456  0.0001  1.0
  Hg  Hg4  4  0.0000  0.1520  0.7500  1.0
]