data_[Al2Fe10Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.8977]
_cell_length_b [11.7417]
_cell_length_c [7.4146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [AlFe5Pt6]
_chemical_formula_sum '[Al2 Fe10 Pt12]'
_cell_volume [339.3320]
_cell_formula_units_Z [2]
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
[
  Al  Al0  2  0.0000  0.0000  0.0000  1
  Fe  Fe1  4  0.0000  0.3241  0.0000  1
  Fe  Fe2  4  0.0000  0.3355  0.5000  1
  Fe  Fe3  2  0.0000  0.0000  0.5000  1
  Pt  Pt4  8  0.0000  0.1669  0.2531  1
  Pt  Pt5  4  0.0000  0.5000  0.2400  1
]