data_[Mg20Pt12]
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 [C2/m]
_cell_length_a [5.4610]
_cell_length_b [14.5399]
_cell_length_c [7.5914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg5Pt3]
_chemical_formula_sum '[Mg20 Pt12]'
_cell_volume [575.3008]
_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  0.1228  0.3198  0.7047  1.0
  Mg  Mg1  8  0.1850  0.1039  0.8611  1.0
  Mg  Mg2  4  0.2444  0.0000  0.4842  1.0
  Pt  Pt3  4  0.0000  0.1609  0.5000  1.0
  Pt  Pt4  4  0.0000  0.2499  0.0000  1.0
  Pt  Pt5  4  0.1024  0.5000  0.8272  1.0
]