data_[Ba12Zn12Pt8]
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 [Cmcm]
_cell_length_a [4.5226]
_cell_length_b [11.9793]
_cell_length_c [16.5467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ba3Zn3Pt2]
_chemical_formula_sum '[Ba12 Zn12 Pt8]'
_cell_volume [896.4484]
_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  0.0000  0.0648  0.6043  1.0
  Ba  Ba1  4  0.0000  0.3565  0.7500  1.0
  Zn  Zn2  8  0.0000  0.3263  0.5362  1.0
  Zn  Zn3  4  0.0000  0.3386  0.2500  1.0
  Pt  Pt4  8  0.0000  0.2285  0.1096  1.0
]