data_[Ba4Zn1I2Cl1]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.3411]
_cell_length_b [4.6967]
_cell_length_c [8.9720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7965]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba4ZnI2Cl]
_chemical_formula_sum '[Ba4 Zn1 I2 Cl1]'
_cell_volume [334.6638]
_cell_formula_units_Z [1]
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  0.2394  0.5000  0.2175  1
  Ba  Ba1  2  0.2676  0.0000  0.7826  1
  Zn  Zn2  1  0.5000  0.5000  0.0000  1
  I  I3  1  0.0000  0.5000  0.5000  1
  I  I4  1  0.5000  0.0000  0.5000  1
  Cl  Cl5  1  0.0000  0.0000  0.0000  1
]