data_[Mo2Pd4Pt3]
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 [P-1]
_cell_length_a [4.8372]
_cell_length_b [4.8698]
_cell_length_c [6.1830]
_cell_angle_alpha [82.7025]
_cell_angle_beta [75.0983]
_cell_angle_gamma [80.6111]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mo2Pd4Pt3]
_chemical_formula_sum '[Mo2 Pd4 Pt3]'
_cell_volume [138.3100]
_cell_formula_units_Z [1]
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  0.4456  0.8986  0.2169  1
  Pd  Pd1  2  0.2288  0.4430  0.1140  1
  Pd  Pd2  2  0.3365  0.6637  0.6668  1
  Pt  Pt3  2  0.1162  0.2131  0.5608  1
  Pt  Pt4  1  0.0000  0.0000  0.0000  1
]