data_[Ca12Al4Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1175]
_cell_length_b [10.7225]
_cell_length_c [14.1436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ca3AlPt3]
_chemical_formula_sum '[Ca12 Al4 Pt12]'
_cell_volume [624.4408]
_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
[
  Ca  Ca0  8  0.0000  0.2120  0.6068  1
  Ca  Ca1  4  0.0000  0.4954  0.7500  1
  Al  Al2  4  0.0000  0.5000  0.0000  1
  Pt  Pt3  8  0.0000  0.0764  0.0853  1
  Pt  Pt4  4  0.0000  0.2078  0.2500  1
]