data_[Ba44Ag4Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [14.3837]
_cell_length_b [14.3837]
_cell_length_c [15.9945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Ba11AgPt2]
_chemical_formula_sum '[Ba44 Ag4 Pt8]'
_cell_volume [3309.1251]
_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  32  0.0638  0.2125  0.6352  1
  Ba  Ba1  8  0.1911  0.3089  0.0000  1
  Ba  Ba2  4  0.0000  0.5000  0.0000  1
  Ag  Ag3  4  0.0000  0.0000  0.2500  1
  Pt  Pt4  8  0.1586  0.3414  0.5000  1
]