# generated using pymatgen
data_BaPIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52228927
_cell_length_b   6.52228927
_cell_length_c   6.52228927
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPIr
_chemical_formula_sum   'Ba4 P4 Ir4'
_cell_volume   277.45986387
_cell_formula_units_Z   4
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  0.62788800  0.37211200  0.87211200  1.0
  Ba  Ba1  1  0.37211200  0.87211200  0.62788800  1.0
  Ba  Ba2  1  0.12788800  0.12788800  0.12788800  1.0
  Ba  Ba3  1  0.87211200  0.62788800  0.37211200  1.0
  P  P4  1  0.15351056  0.34648944  0.65351056  1.0
  P  P5  1  0.65351056  0.15351056  0.34648944  1.0
  P  P6  1  0.34648944  0.65351056  0.15351056  1.0
  P  P7  1  0.84648944  0.84648944  0.84648944  1.0
  Ir  Ir8  1  0.59691629  0.90308371  0.09691629  1.0
  Ir  Ir9  1  0.09691629  0.59691629  0.90308371  1.0
  Ir  Ir10  1  0.40308371  0.40308371  0.40308371  1.0
  Ir  Ir11  1  0.90308371  0.09691629  0.59691629  1.0