# generated using pymatgen
data_Ba(BIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87583750
_cell_length_b   7.87583750
_cell_length_c   3.93492019
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(BIr)4
_chemical_formula_sum   'Ba2 B8 Ir8'
_cell_volume   244.07844192
_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  0.50000000  0.50000000  0.00000000  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.50000000  1.0
  B  B2  1  0.65889934  0.78076289  0.60016207  1.0
  B  B3  1  0.15889934  0.28076289  0.89983793  1.0
  B  B4  1  0.28076289  0.84110066  0.10016207  1.0
  B  B5  1  0.71923711  0.15889934  0.10016207  1.0
  B  B6  1  0.34110066  0.21923711  0.60016207  1.0
  B  B7  1  0.84110066  0.71923711  0.89983793  1.0
  B  B8  1  0.21923711  0.65889934  0.39983793  1.0
  B  B9  1  0.78076289  0.34110066  0.39983793  1.0
  Ir  Ir10  1  0.34612647  0.10979756  0.09812277  1.0
  Ir  Ir11  1  0.65387353  0.89020244  0.09812277  1.0
  Ir  Ir12  1  0.60979756  0.15387353  0.59812277  1.0
  Ir  Ir13  1  0.10979756  0.65387353  0.90187723  1.0
  Ir  Ir14  1  0.15387353  0.39020244  0.40187723  1.0
  Ir  Ir15  1  0.84612647  0.60979756  0.40187723  1.0
  Ir  Ir16  1  0.89020244  0.34612647  0.90187723  1.0
  Ir  Ir17  1  0.39020244  0.84612647  0.59812277  1.0