data_[Ce2Cu12Pt12]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0623]
_cell_length_b [8.6045]
_cell_length_c [8.8977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ce(CuPt)6]
_chemical_formula_sum '[Ce2 Cu12 Pt12]'
_cell_volume [387.5661]
_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  2  0.0000  0.0000  0.0000  1
  Cu  Cu1  8  0.2500  0.2500  0.2500  1
  Cu  Cu2  4  0.0000  0.5000  0.2645  1
  Pt  Pt3  4  0.0000  0.0000  0.3449  1
  Pt  Pt4  4  0.0000  0.3038  0.5000  1
  Pt  Pt5  4  0.0000  0.3392  0.0000  1
]