# generated using pymatgen
data_ZrCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86181950
_cell_length_b   13.39278336
_cell_length_c   13.48244118
_cell_angle_alpha   119.78026353
_cell_angle_beta   105.11799211
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCl3
_chemical_formula_sum   'Zr6 Cl18'
_cell_volume   1025.69185299
_cell_formula_units_Z   6
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  1  0.33032699  0.91512698  0.83025497  1.0
  Zr  Zr1  1  0.66967301  0.08487302  0.16974503  1.0
  Zr  Zr2  1  0.08639998  0.67071861  0.58629939  1.0
  Zr  Zr3  1  0.91360002  0.08441922  0.41370061  1.0
  Zr  Zr4  1  0.91360002  0.32928139  0.41370061  1.0
  Zr  Zr5  1  0.08639998  0.91558078  0.58629939  1.0
  Cl  Cl6  1  0.70725439  0.97893616  0.95787232  1.0
  Cl  Cl7  1  0.29274561  0.02106384  0.04212768  1.0
  Cl  Cl8  1  0.45711767  0.72508778  0.71376913  1.0
  Cl  Cl9  1  0.54288233  0.01131765  0.28623087  1.0
  Cl  Cl10  1  0.54288233  0.27491222  0.28623087  1.0
  Cl  Cl11  1  0.45711767  0.98868235  0.71376913  1.0
  Cl  Cl12  1  0.05265474  0.76623644  0.79599934  1.0
  Cl  Cl13  1  0.94734526  0.97023711  0.20400066  1.0
  Cl  Cl14  1  0.94734526  0.23376356  0.20400066  1.0
  Cl  Cl15  1  0.05265474  0.02976289  0.79599934  1.0
  Cl  Cl16  1  0.19669507  0.72614057  0.45227913  1.0
  Cl  Cl17  1  0.80330493  0.27385943  0.54772087  1.0
  Cl  Cl18  1  0.79101737  0.76729537  0.53458973  1.0
  Cl  Cl19  1  0.20898263  0.23270463  0.46541027  1.0
  Cl  Cl20  1  0.79336531  0.52107625  0.54231659  1.0
  Cl  Cl21  1  0.20663469  0.97875966  0.45768341  1.0
  Cl  Cl22  1  0.20663469  0.47892375  0.45768341  1.0
  Cl  Cl23  1  0.79336531  0.02124034  0.54231659  1.0