# generated using pymatgen
data_PrIrI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36642803
_cell_length_b   4.36642854
_cell_length_c   12.34406935
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998868
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrIrI
_chemical_formula_sum   'Pr2 Ir2 I2'
_cell_volume   203.81760644
_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
  Pr  Pr0  1  0.00000000  0.00000000  0.15317655  1.0
  Pr  Pr1  1  0.00000000  0.00000000  0.84682345  1.0
  Ir  Ir2  1  0.33333300  0.66666700  0.00321097  1.0
  Ir  Ir3  1  0.66666700  0.33333300  0.99678903  1.0
  I  I4  1  0.33333300  0.66666700  0.67270379  1.0
  I  I5  1  0.66666700  0.33333300  0.32729621  1.0