# generated using pymatgen
data_BaBPIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66550276
_cell_length_b   6.66550269
_cell_length_c   6.66550222
_cell_angle_alpha   145.52945256
_cell_angle_beta   145.52944544
_cell_angle_gamma   49.54621849
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBPIr2
_chemical_formula_sum   'Ba1 B1 P1 Ir2'
_cell_volume   94.42438955
_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
  Ba  Ba0  1  0.00446019  0.00446019  1.00000000  1.0
  B  B1  1  0.32701838  0.32701838  0.00000000  1.0
  P  P2  1  0.65370682  0.65370682  1.00000000  1.0
  Ir  Ir3  1  0.25740680  0.75740680  0.50000000  1.0
  Ir  Ir4  1  0.75740680  0.25740680  0.50000000  1.0