# generated using pymatgen
data_ZrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34721105
_cell_length_b   3.34721105
_cell_length_c   9.56814730
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999108
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCl
_chemical_formula_sum   'Zr2 Cl2'
_cell_volume   92.83777346
_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  0.66666700  0.33333300  0.63112519  1.0
  Zr  Zr1  1  0.33333300  0.66666700  0.36887481  1.0
  Cl  Cl2  1  0.66666700  0.33333300  0.18094830  1.0
  Cl  Cl3  1  0.33333300  0.66666700  0.81905170  1.0