data_[Ba8Al4Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4365]
_cell_length_b [6.4155]
_cell_length_c [8.2029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1351]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba2AlPt2]
_chemical_formula_sum '[Ba8 Al4 Pt8]'
_cell_volume [538.8929]
_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
[
  Ba  Ba0  8  0.1506  0.3781  0.1477  1.0
  Al  Al1  4  0.0000  0.0923  0.7500  1.0
  Pt  Pt2  8  0.1225  0.1245  0.5055  1.0
]