# generated using pymatgen
data_ZrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94302223
_cell_length_b   6.94302212
_cell_length_c   6.94302221
_cell_angle_alpha   28.38690174
_cell_angle_beta   28.38689385
_cell_angle_gamma   28.38690146
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCl2
_chemical_formula_sum   'Zr1 Cl2'
_cell_volume   66.85297123
_cell_formula_units_Z   1
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  0.00007211  0.00007211  0.00007211  1.0
  Cl  Cl1  1  0.41911788  0.41911788  0.41911788  1.0
  Cl  Cl2  1  0.24770901  0.24770901  0.24770901  1.0