data_[Ba2Zn2I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1406]
_cell_length_b [11.1888]
_cell_length_c [7.1471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1944]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaZnI4]
_chemical_formula_sum '[Ba2 Zn2 I8]'
_cell_volume [558.1363]
_cell_formula_units_Z [2]
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  2  0.3862  0.2500  0.3803  1.0
  Zn  Zn1  2  0.1059  0.7500  0.1127  1.0
  I  I2  4  0.2912  0.5646  0.2997  1.0
  I  I3  2  0.1303  0.7500  0.7528  1.0
  I  I4  2  0.2554  0.2500  0.8654  1.0
]