data_[Ba4Zn2Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8192]
_cell_length_b [8.0158]
_cell_length_c [11.5930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0428]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2ZnCl6]
_chemical_formula_sum '[Ba4 Zn2 Cl12]'
_cell_volume [525.0850]
_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  4  0.2187  0.1054  0.7572  1.0
  Zn  Zn1  2  0.5000  0.0000  0.5000  1.0
  Cl  Cl2  4  0.1463  0.1571  0.4543  1.0
  Cl  Cl3  4  0.2893  0.7085  0.4487  1.0
  Cl  Cl4  4  0.3524  0.0211  0.2578  1.0
]