data_[Zn2In2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.3186]
_cell_length_b [6.6835]
_cell_length_c [8.2124]
_cell_angle_alpha [69.4145]
_cell_angle_beta [88.5767]
_cell_angle_gamma [83.4151]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ZnInCl3]
_chemical_formula_sum '[Zn2 In2 Cl6]'
_cell_volume [322.4783]
_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  1  0.1038  0.4251  0.7370  1.0
  Zn  Zn1  1  0.5968  0.5582  0.4371  1.0
  In  In2  1  0.1395  0.1511  0.3354  1.0
  In  In3  1  0.6485  0.9131  0.8407  1.0
  Cl  Cl4  1  0.1277  0.0799  0.7512  1.0
  Cl  Cl5  1  0.4401  0.8266  0.2079  1.0
  Cl  Cl6  1  0.4448  0.5445  0.7045  1.0
  Cl  Cl7  1  0.6150  0.2277  0.4189  1.0
  Cl  Cl8  1  0.9399  0.6458  0.4712  1.0
  Cl  Cl9  1  0.9570  0.4863  0.9696  1.0
]