data_[Mo2Pt6]
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 [C2/m]
_cell_length_a [9.3517]
_cell_length_b [2.7744]
_cell_length_c [4.8683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8175]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MoPt3]
_chemical_formula_sum '[Mo2 Pt6]'
_cell_volume [124.4619]
_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  0.0000  0.0000  0.0000  1.0
  Pt  Pt1  4  0.2475  0.5000  0.2430  1.0
  Pt  Pt2  2  0.0000  0.5000  0.5000  1.0
]