# generated using pymatgen
data_AsI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.37099028
_cell_length_b   8.37099028
_cell_length_c   8.37099110
_cell_angle_alpha   52.34517965
_cell_angle_beta   52.34519748
_cell_angle_gamma   52.34518608
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsI3
_chemical_formula_sum   'As2 I6'
_cell_volume   340.20575808
_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
  As  As0  1  0.19012803  0.19012803  0.19012803  1.0
  As  As1  1  0.80987197  0.80987197  0.80987197  1.0
  I  I2  1  0.43572368  0.06025310  0.75699758  1.0
  I  I3  1  0.75699758  0.43572368  0.06025310  1.0
  I  I4  1  0.06025310  0.75699758  0.43572368  1.0
  I  I5  1  0.56427632  0.93974690  0.24300242  1.0
  I  I6  1  0.24300242  0.56427632  0.93974690  1.0
  I  I7  1  0.93974690  0.24300242  0.56427632  1.0