data_[Ba16Ir4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ir  2.2000  1.3500  0.7650
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2689]
_cell_length_b [18.2142]
_cell_length_c [7.8535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.1264]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba4IrPt]
_chemical_formula_sum '[Ba16 Ir4 Pt4]'
_cell_volume [1070.9325]
_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  0.2429  0.4313  0.7524  1.0
  Ba  Ba1  8  0.2487  0.2983  0.2430  1.0
  Ir  Ir2  4  0.0000  0.3270  0.7500  1.0
  Pt  Pt3  4  0.0000  0.1759  0.2500  1.0
]