data_[Ce12Hg2Pt4]
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 [C2/m]
_cell_length_a [10.5660]
_cell_length_b [4.7476]
_cell_length_c [8.9893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7798]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6HgPt2]
_chemical_formula_sum '[Ce12 Hg2 Pt4]'
_cell_volume [450.7196]
_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  4  0.0619  0.0000  0.8606  1.0
  Ce  Ce1  4  0.0971  0.5000  0.1848  1.0
  Ce  Ce2  4  0.2034  0.5000  0.5816  1.0
  Hg  Hg3  2  0.0000  0.0000  0.5000  1.0
  Pt  Pt4  4  0.2400  0.5000  0.8903  1.0
]