# generated using pymatgen
data_ZrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19792008
_cell_length_b   8.19792008
_cell_length_c   8.19792016
_cell_angle_alpha   107.40022481
_cell_angle_beta   107.40022481
_cell_angle_gamma   107.40022075
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCl2
_chemical_formula_sum   'Zr6 Cl12'
_cell_volume   453.73262676
_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  0.70090400  0.96805400  0.89762000  1.0
  Zr  Zr1  1  0.10238000  0.29909600  0.03194600  1.0
  Zr  Zr2  1  0.89762000  0.70090400  0.96805400  1.0
  Zr  Zr3  1  0.96805400  0.89762000  0.70090400  1.0
  Zr  Zr4  1  0.03194600  0.10238000  0.29909600  1.0
  Zr  Zr5  1  0.29909600  0.03194600  0.10238000  1.0
  Cl  Cl6  1  0.85210300  0.55021000  0.62908600  1.0
  Cl  Cl7  1  0.92155400  0.77767000  0.31261200  1.0
  Cl  Cl8  1  0.07844600  0.22233000  0.68738800  1.0
  Cl  Cl9  1  0.68738800  0.07844600  0.22233000  1.0
  Cl  Cl10  1  0.31261200  0.92155400  0.77767000  1.0
  Cl  Cl11  1  0.22233000  0.68738800  0.07844600  1.0
  Cl  Cl12  1  0.62908600  0.85210300  0.55021000  1.0
  Cl  Cl13  1  0.14789700  0.44979000  0.37091400  1.0
  Cl  Cl14  1  0.44979000  0.37091400  0.14789700  1.0
  Cl  Cl15  1  0.55021000  0.62908600  0.85210300  1.0
  Cl  Cl16  1  0.37091400  0.14789700  0.44979000  1.0
  Cl  Cl17  1  0.77767000  0.31261200  0.92155400  1.0