data_[Mg13Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0707]
_cell_length_b [7.3323]
_cell_length_c [8.0744]
_cell_angle_alpha [68.0126]
_cell_angle_beta [89.8147]
_cell_angle_gamma [76.9915]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg13Pt2]
_chemical_formula_sum '[Mg13 Pt2]'
_cell_volume [323.4075]
_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
[
  Mg  Mg0  2  0.0431  0.5751  0.6427  1
  Mg  Mg1  2  0.1825  0.0032  0.6542  1
  Mg  Mg2  2  0.2254  0.5695  0.0261  1
  Mg  Mg3  2  0.2899  0.0866  0.2617  1
  Mg  Mg4  2  0.4363  0.2266  0.8699  1
  Mg  Mg5  2  0.4764  0.3434  0.4319  1
  Mg  Mg6  1  0.0000  0.0000  0.0000  1
  Pt  Pt7  2  0.1898  0.7209  0.3102  1
]