data_[Mo4Pd4Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.0648]
_cell_length_b [7.3012]
_cell_length_c [7.5222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [MoPdPt3]
_chemical_formula_sum '[Mo4 Pd4 Pt12]'
_cell_volume [333.0871]
_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
[
  Mo  Mo0  4  0.0000  0.0000  0.5000  1
  Pd  Pd1  4  0.2029  0.2500  0.1565  1
  Pt  Pt2  8  0.1295  0.0610  0.8281  1
  Pt  Pt3  4  0.2137  0.7500  0.0304  1
]