data_[Ba8Zn36Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.8843]
_cell_length_b [7.7709]
_cell_length_c [11.2744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2329]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba2(Zn3Pt)3]
_chemical_formula_sum '[Ba8 Zn36 Pt12]'
_cell_volume [1091.1550]
_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  0.1726  0.4081  0.2429  1
  Zn  Zn1  8  0.0604  0.4098  0.9260  1
  Zn  Zn2  8  0.0838  0.9170  0.5081  1
  Zn  Zn3  8  0.0943  0.1864  0.7484  1
  Zn  Zn4  8  0.2230  0.0813  0.4448  1
  Zn  Zn5  4  0.0000  0.1158  0.2500  1
  Pt  Pt6  8  0.0861  0.2625  0.5031  1
  Pt  Pt7  4  0.2500  0.2500  0.0000  1
]