# generated using pymatgen
data_La2IrI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24867945
_cell_length_b   4.24867838
_cell_length_c   16.45730367
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000831
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2IrI
_chemical_formula_sum   'La4 Ir2 I2'
_cell_volume   257.27471222
_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
  La  La0  1  0.33333300  0.66666700  0.40780727  1.0
  La  La1  1  0.66666700  0.33333300  0.90780727  1.0
  La  La2  1  0.66666700  0.33333300  0.59219273  1.0
  La  La3  1  0.33333300  0.66666700  0.09219273  1.0
  Ir  Ir4  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir5  1  0.00000000  0.00000000  0.00000000  1.0
  I  I6  1  0.66666700  0.33333300  0.25000000  1.0
  I  I7  1  0.33333300  0.66666700  0.75000000  1.0