data_[Ce12Pd2Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7750]
_cell_length_b [7.6255]
_cell_length_c [12.5449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ce6PdPt3]
_chemical_formula_sum '[Ce12 Pd2 Pt6]'
_cell_volume [551.1236]
_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  0.0796  0.6723  0.9192  1
  Ce  Ce1  4  0.2603  0.1733  0.9157  1
  Ce  Ce2  4  0.4193  0.5586  0.7503  1
  Pd  Pd3  2  0.0000  0.0000  0.0000  1
  Pt  Pt4  4  0.1860  0.6211  0.2440  1
  Pt  Pt5  2  0.5000  0.0000  0.5000  1
]