# generated using pymatgen
data_InI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86024373
_cell_length_b   4.83363636
_cell_length_c   6.87635392
_cell_angle_alpha   90.00000000
_cell_angle_beta   110.69557221
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InI
_chemical_formula_sum   'In2 I2'
_cell_volume   151.11957847
_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
  In  In0  1  0.39673319  0.75000000  0.79346638  1.0
  In  In1  1  0.60326681  0.25000000  0.20653362  1.0
  I  I2  1  0.14609674  0.75000000  0.29219248  1.0
  I  I3  1  0.85390326  0.25000000  0.70780752  1.0