data_[Ba8Zn4Sn8]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8151]
_cell_length_b [4.9538]
_cell_length_c [12.4467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2ZnSn2]
_chemical_formula_sum '[Ba8 Zn4 Sn8]'
_cell_volume [708.6382]
_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  4  0.1018  0.0000  0.9042  1.0
  Ba  Ba1  4  0.2064  0.5000  0.6502  1.0
  Zn  Zn2  4  0.0624  0.5000  0.3144  1.0
  Sn  Sn3  4  0.0477  0.0000  0.4132  1.0
  Sn  Sn4  4  0.1141  0.5000  0.1166  1.0
]