data_[Ce12Cu6B6Pt36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cu  1.9000  1.3500  0.8200
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6653]
_cell_length_b [5.6653]
_cell_length_c [38.9469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ce2CuBPt6]
_chemical_formula_sum '[Ce12 Cu6 B6 Pt36]'
_cell_volume [1082.5462]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1068  1
  Ce  Ce1  6  0.0000  0.0000  0.2757  1
  Cu  Cu2  6  0.0000  0.0000  0.4191  1
  B  B3  3  -0.0000  -0.0000  0.5000  1
  B  B4  3  0.0000  0.0000  0.0000  1
  Pt  Pt5  18  0.0084  0.5042  0.2999  1
  Pt  Pt6  18  0.0191  0.5095  0.8653  1
]