data_[Mg6Pt6]
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 [12.7479]
_cell_length_b [2.9249]
_cell_length_c [5.4949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4959]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgPt]
_chemical_formula_sum '[Mg6 Pt6]'
_cell_volume [199.2251]
_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
[
  Mg  Mg0  4  0.1743  0.5000  0.7852  1
  Mg  Mg1  2  0.0000  0.0000  0.0000  1
  Pt  Pt2  4  0.1560  0.5000  0.2835  1
  Pt  Pt3  2  0.0000  0.0000  0.5000  1
]