# generated using pymatgen
data_ZrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44504426
_cell_length_b   3.44487576
_cell_length_c   9.27395089
_cell_angle_alpha   100.72112060
_cell_angle_beta   89.99947121
_cell_angle_gamma   120.00147044
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCl
_chemical_formula_sum   'Zr2 Cl2'
_cell_volume   93.08921410
_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
  Zr  Zr0  1  0.62302596  0.24604564  0.86946669  1.0
  Zr  Zr1  1  0.37697404  0.75395436  0.13053331  1.0
  Cl  Cl2  1  0.89246829  0.78493501  0.67786671  1.0
  Cl  Cl3  1  0.10753171  0.21506499  0.32213329  1.0