# generated using pymatgen
data_ScI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.24000000
_cell_length_b   7.24000000
_cell_length_c   4.10657200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScI2
_chemical_formula_sum   'Sc2 I4'
_cell_volume   215.25664847
_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
  Sc  Sc0  1  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc1  1  0.50000000  0.50000000  0.50000000  1.0
  I  I2  1  0.29326600  0.29326600  0.00000000  1.0
  I  I3  1  0.70673400  0.70673400  0.00000000  1.0
  I  I4  1  0.20673400  0.79326600  0.50000000  1.0
  I  I5  1  0.79326600  0.20673400  0.50000000  1.0