data_[Ce48Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Ccce]
_cell_length_a [16.5431]
_cell_length_b [16.8382]
_cell_length_c [5.9227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [68]
_chemical_formula_structural [Ce3Pt]
_chemical_formula_sum '[Ce48 Pt16]'
_cell_volume [1649.7896]
_cell_formula_units_Z [16]
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  16  0.1739  0.1737  0.2814  1
  Ce  Ce1  8  0.0000  0.0826  0.5000  1
  Ce  Ce2  8  0.0000  0.2070  0.0000  1
  Ce  Ce3  8  0.0957  0.0000  0.0000  1
  Ce  Ce4  8  0.2085  0.0000  0.5000  1
  Pt  Pt5  16  0.1512  0.1526  0.7760  1
]