data_[Ce4In12Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6830]
_cell_length_b [5.1849]
_cell_length_c [9.1012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1603]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeIn3Hg2]
_chemical_formula_sum '[Ce4 In12 Hg8]'
_cell_volume [619.5419]
_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  0.1317  0.0000  0.1251  1.0
  In  In1  4  0.0050  0.0000  0.3357  1.0
  In  In2  4  0.1179  0.5000  0.6341  1.0
  In  In3  4  0.2469  0.0000  0.5777  1.0
  Hg  Hg4  4  0.0068  0.5000  0.1694  1.0
  Hg  Hg5  4  0.2474  0.0000  0.9083  1.0
]