# generated using pymatgen
data_MoI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.79452954
_cell_length_b   10.79452954
_cell_length_c   3.78109784
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00237229
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoI3
_chemical_formula_sum   'Mo2 I6'
_cell_volume   381.54485659
_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
  Mo  Mo0  1  0.66670379  0.33329621  0.25000000  1.0
  Mo  Mo1  1  0.33331188  0.66668812  0.75000000  1.0
  I  I2  1  0.78061826  0.21938174  0.75000000  1.0
  I  I3  1  0.43889402  0.21942660  0.75000000  1.0
  I  I4  1  0.78057340  0.56110598  0.75000000  1.0
  I  I5  1  0.21938570  0.78061430  0.25000000  1.0
  I  I6  1  0.56115092  0.78063796  0.25000000  1.0
  I  I7  1  0.21936204  0.43884908  0.25000000  1.0