# generated using pymatgen
data_ZrI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49956697
_cell_length_b   7.49956697
_cell_length_c   6.56347802
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999621
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrI3
_chemical_formula_sum   'Zr2 I6'
_cell_volume   319.69589430
_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  0.00000000  0.00000000  1.0
  Zr  Zr1  1  -0.00000000  0.00000000  0.50000000  1.0
  I  I2  1  0.32256166  0.00000000  0.25000000  1.0
  I  I3  1  0.32256166  0.32256166  0.75000000  1.0
  I  I4  1  1.00000000  0.67743834  0.75000000  1.0
  I  I5  1  0.00000000  0.32256166  0.25000000  1.0
  I  I6  1  0.67743834  0.67743834  0.25000000  1.0
  I  I7  1  0.67743834  1.00000000  0.75000000  1.0