data_[Al1In3Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0214]
_cell_length_b [4.0214]
_cell_length_c [16.0459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Al(InPt4)3]
_chemical_formula_sum '[Al1 In3 Pt12]'
_cell_volume [259.4862]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  In  In1  2  0.0000  0.0000  0.2462  1
  In  In2  1  0.0000  0.0000  0.5000  1
  Pt  Pt3  4  0.0000  0.5000  0.1166  1
  Pt  Pt4  4  0.0000  0.5000  0.3729  1
  Pt  Pt5  2  0.5000  0.5000  0.2448  1
  Pt  Pt6  1  0.5000  0.5000  0.0000  1
  Pt  Pt7  1  0.5000  0.5000  0.5000  1
]