# generated using pymatgen
data_CrI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48004715
_cell_length_b   4.48004715
_cell_length_c   14.65747200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   127.66800902
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrI2
_chemical_formula_sum   'Cr2 I4'
_cell_volume   232.86850026
_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
  Cr  Cr0  1  0.79534700  0.20465300  0.87641400  1.0
  Cr  Cr1  1  0.20465300  0.79534700  0.37641400  1.0
  I  I2  1  0.20890100  0.79109900  0.75659200  1.0
  I  I3  1  0.79109900  0.20890100  0.25659200  1.0
  I  I4  1  0.58680500  0.41319500  0.48799400  1.0
  I  I5  1  0.41319500  0.58680500  0.98799400  1.0