data_[Ce36Hg18Pt3]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.1040]
_cell_length_b [11.1040]
_cell_length_c [13.9132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ce12Hg6Pt]
_chemical_formula_sum '[Ce36 Hg18 Pt3]'
_cell_volume [1485.6602]
_cell_formula_units_Z [3]
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  18  0.0474  0.8821  0.8124  1
  Ce  Ce1  18  0.0583  0.2096  0.4362  1
  Hg  Hg2  18  0.0327  0.6035  0.6956  1
  Pt  Pt3  3  0.0000  0.0000  0.0000  1
]