data_[Ba8Zn4Sb8]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.2829]
_cell_length_b [14.3142]
_cell_length_c [7.0658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ba2ZnSb2]
_chemical_formula_sum '[Ba8 Zn4 Sb8]'
_cell_volume [736.5975]
_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  0.2045  0.1362  0.5000  1.0
  Zn  Zn1  4  0.0000  0.5000  0.2500  1.0
  Sb  Sb2  8  0.2061  0.3888  0.5000  1.0
]