data_[Be12Al12Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.8676]
_cell_length_b [10.3018]
_cell_length_c [5.9201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [BeAlPt]
_chemical_formula_sum '[Be12 Al12 Pt12]'
_cell_volume [479.8275]
_cell_formula_units_Z [12]
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
[
  Be  Be0  8  0.0245  0.1112  0.6391  1
  Be  Be1  4  0.0000  0.0000  0.9874  1
  Al  Al2  4  0.2500  0.1924  0.9482  1
  Al  Al3  4  0.2500  0.5033  0.8221  1
  Al  Al4  4  0.2500  0.7387  0.5101  1
  Pt  Pt5  8  0.0121  0.1695  0.2563  1
  Pt  Pt6  4  0.2500  0.5319  0.2534  1
]