data_[Zn2Br2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.8615]
_cell_length_b [3.1223]
_cell_length_c [6.9261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZnBrCl2]
_chemical_formula_sum '[Zn2 Br2 Cl4]'
_cell_volume [267.6955]
_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
[
  Zn  Zn0  2  0.4016  0.0000  0.1813  1
  Br  Br1  2  0.2290  0.0000  0.8166  1
  Cl  Cl2  2  0.0110  0.0000  0.1182  1
  Cl  Cl3  2  0.3585  0.5000  0.3839  1
]