# generated using pymatgen
data_Ba2Ir2I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41800088
_cell_length_b   4.41800043
_cell_length_c   19.46078450
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998871
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ir2I
_chemical_formula_sum   'Ba4 Ir4 I2'
_cell_volume   328.95960896
_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
  Ba  Ba0  1  0.00000000  0.00000000  0.11187656  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.88812344  1.0
  Ba  Ba2  1  0.00000000  0.00000000  0.61187656  1.0
  Ba  Ba3  1  0.00000000  0.00000000  0.38812344  1.0
  Ir  Ir4  1  0.33333300  0.66666700  0.50033887  1.0
  Ir  Ir5  1  0.66666700  0.33333300  0.49966113  1.0
  Ir  Ir6  1  0.66666700  0.33333300  0.00033887  1.0
  Ir  Ir7  1  0.33333300  0.66666700  0.99966113  1.0
  I  I8  1  0.33333300  0.66666700  0.25000000  1.0
  I  I9  1  0.66666700  0.33333300  0.75000000  1.0