data_[Mo2Pt4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.3998]
_cell_length_b [2.8144]
_cell_length_c [4.9267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MoPt2Au]
_chemical_formula_sum '[Mo2 Pt4 Au2]'
_cell_volume [128.5876]
_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  0.2462  0.5000  0.2328  1
  Pt  Pt1  2  0.0036  0.0000  0.0172  1
  Pt  Pt2  2  0.2525  0.0000  0.7471  1
  Au  Au3  2  0.4978  0.0000  0.5029  1
]