data_[Mg8Al4Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.1471]
_cell_length_b [12.4944]
_cell_length_c [7.1539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mg2AlPt3]
_chemical_formula_sum '[Mg8 Al4 Pt12]'
_cell_volume [370.6828]
_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  4  0.0000  0.3328  0.5000  1
  Mg  Mg1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  2  0.0000  0.0000  0.5000  1
  Al  Al3  4  0.0000  0.3352  0.0000  1
  Pt  Pt4  8  0.0000  0.1690  0.2302  1
  Pt  Pt5  4  0.0000  0.5000  0.2390  1
]