data_[Ce4Pr4Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [7.1693]
_cell_length_b [7.9253]
_cell_length_c [7.8766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [CePrPt3]
_chemical_formula_sum '[Ce4 Pr4 Pt12]'
_cell_volume [447.5436]
_cell_formula_units_Z [4]
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  0.2146  0.6365  0.5000  1
  Pr  Pr1  4  0.2107  0.6386  0.0000  1
  Pt  Pt2  8  0.1191  0.3566  0.2500  1
  Pt  Pt3  4  0.0000  0.0000  0.2348  1
]