data_[Mo2Pd6Pt6]
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 [P6_3/m]
_cell_length_a [7.4088]
_cell_length_b [7.4088]
_cell_length_c [4.5530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Mo(PdPt)3]
_chemical_formula_sum '[Mo2 Pd6 Pt6]'
_cell_volume [216.4331]
_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
[
  Mo  Mo0  2  0.3333  0.6667  0.7500  1.0
  Pd  Pd1  6  0.0557  0.8120  0.7500  1.0
  Pt  Pt2  6  0.0955  0.6168  0.2500  1.0
]