data_[Zr4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2579]
_cell_length_b [3.3471]
_cell_length_c [14.6804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrCl2]
_chemical_formula_sum '[Zr4 Cl8]'
_cell_volume [306.1099]
_cell_formula_units_Z [4]
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
[
  Zr  Zr0  2  0.2018  0.2500  0.5032  1.0
  Zr  Zr1  2  0.2996  0.7500  0.0032  1.0
  Cl  Cl2  2  0.0524  0.2500  0.8988  1.0
  Cl  Cl3  2  0.1072  0.7500  0.6312  1.0
  Cl  Cl4  2  0.4024  0.7500  0.3988  1.0
  Cl  Cl5  2  0.4511  0.2500  0.1312  1.0
]