data_[Mo6Pt6]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.3927]
_cell_length_b [2.7466]
_cell_length_c [6.7562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MoPt]
_chemical_formula_sum '[Mo6 Pt6]'
_cell_volume [186.8210]
_cell_formula_units_Z [6]
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  0.0048  0.0000  0.9971  1.0
  Mo  Mo1  2  0.3286  0.0000  0.6647  1.0
  Mo  Mo2  2  0.3897  0.0000  0.2820  1.0
  Pt  Pt3  2  0.0475  0.0000  0.6085  1.0
  Pt  Pt4  2  0.1684  0.5000  0.3321  1.0
  Pt  Pt5  2  0.2276  0.5000  0.9488  1.0
]