# generated using pymatgen
data_ZrCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53574570
_cell_length_b   6.53576599
_cell_length_c   6.04863614
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00016625
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCl3
_chemical_formula_sum   'Zr2 Cl6'
_cell_volume   223.75822271
_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  0.00000000  0.00000100  0.50013127  1.0
  Zr  Zr1  1  0.00000000  0.00000100  -0.00013127  1.0
  Cl  Cl2  1  0.68588607  0.00000000  0.75000000  1.0
  Cl  Cl3  1  0.68580578  0.68580678  0.25000000  1.0
  Cl  Cl4  1  0.31419422  0.00000100  0.25000000  1.0
  Cl  Cl5  1  0.31411393  0.31411393  0.75000000  1.0
  Cl  Cl6  1  0.00000000  0.68588407  0.75000000  1.0
  Cl  Cl7  1  -0.00000000  0.31419322  0.25000000  1.0