data_[Zn3Br3Cl3]
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 [Pm]
_cell_length_a [11.4762]
_cell_length_b [3.7943]
_cell_length_c [18.1708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZnBrCl]
_chemical_formula_sum '[Zn3 Br3 Cl3]'
_cell_volume [791.2365]
_cell_formula_units_Z [3]
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  1  0.1131  0.5000  0.4972  1
  Zn  Zn1  1  0.4492  0.5000  0.5047  1
  Zn  Zn2  1  0.7793  0.5000  0.5008  1
  Br  Br3  1  0.2859  0.5000  0.4181  1
  Br  Br4  1  0.4474  0.0000  0.5891  1
  Br  Br5  1  0.9437  0.5000  0.4153  1
  Cl  Cl6  1  0.1117  0.0000  0.5709  1
  Cl  Cl7  1  0.6125  0.5000  0.4298  1
  Cl  Cl8  1  0.7838  0.0000  0.5742  1
]