data_[Cr4Pd4Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8248]
_cell_length_b [3.8969]
_cell_length_c [8.7311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0975]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrPdPt3]
_chemical_formula_sum '[Cr4 Pd4 Pt12]'
_cell_volume [300.2547]
_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
[
  Cr  Cr0  4  0.1462  0.5000  0.5531  1
  Pd  Pd1  4  0.0476  0.5000  0.8441  1
  Pt  Pt2  4  0.0582  0.0000  0.3611  1
  Pt  Pt3  4  0.1526  0.0000  0.0517  1
  Pt  Pt4  4  0.2432  0.0000  0.7345  1
]