data_[Mg8P12Pt36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.9943]
_cell_length_b [8.2041]
_cell_length_c [9.1929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6367]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg2(PPt3)3]
_chemical_formula_sum '[Mg8 P12 Pt36]'
_cell_volume [876.0193]
_cell_formula_units_Z [4]
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  8  0.1751  0.4117  0.2610  1
  P  P1  8  0.0804  0.2972  0.4915  1
  P  P2  4  0.2500  0.2500  0.0000  1
  Pt  Pt3  8  0.0667  0.4203  0.9322  1
  Pt  Pt4  8  0.1106  0.1753  0.7359  1
  Pt  Pt5  8  0.1181  0.0945  0.0535  1
  Pt  Pt6  8  0.2325  0.1046  0.4066  1
  Pt  Pt7  4  0.0000  0.1495  0.2500  1
]