# generated using pymatgen
data_LaI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95650605
_cell_length_b   3.95650590
_cell_length_c   7.76076233
_cell_angle_alpha   104.76792508
_cell_angle_beta   104.76791692
_cell_angle_gamma   89.99999368
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaI2
_chemical_formula_sum   'La1 I2'
_cell_volume   113.31816056
_cell_formula_units_Z   1
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
  La  La0  1  -0.00000000  -0.00000000  -0.00000000  1.0
  I  I1  1  0.63131264  0.63131264  0.26262627  1.0
  I  I2  1  0.36868736  0.36868736  0.73737373  1.0