# generated using pymatgen
data_ZrI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77350496
_cell_length_b   6.91435257
_cell_length_c   15.63080017
_cell_angle_alpha   95.37380862
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrI2
_chemical_formula_sum   'Zr4 I8'
_cell_volume   406.03612405
_cell_formula_units_Z   4
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  0.25000000  0.68547659  0.99718497  1.0
  Zr  Zr1  1  0.25000000  0.18659283  0.50301471  1.0
  Zr  Zr2  1  0.75000000  0.31452341  0.00281503  1.0
  Zr  Zr3  1  0.75000000  0.81340717  0.49698529  1.0
  I  I4  1  0.25000000  0.60232740  0.60510221  1.0
  I  I5  1  0.75000000  0.39767260  0.39489779  1.0
  I  I6  1  0.75000000  0.55242152  0.85855831  1.0
  I  I7  1  0.75000000  0.94265283  0.10511934  1.0
  I  I8  1  0.25000000  0.44757848  0.14144169  1.0
  I  I9  1  0.75000000  0.11148512  0.64158749  1.0
  I  I10  1  0.25000000  0.05734717  0.89488066  1.0
  I  I11  1  0.25000000  0.88851488  0.35841251  1.0