# generated using pymatgen
data_Ba(BIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94479422
_cell_length_b   3.94479383
_cell_length_c   6.40033990
_cell_angle_alpha   107.94901587
_cell_angle_beta   107.94902682
_cell_angle_gamma   89.99999105
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(BIr)2
_chemical_formula_sum   'Ba1 B2 Ir2'
_cell_volume   89.64183784
_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  0.00000000  -0.00000000  0.00000000  1.0
  B  B1  1  0.68245673  0.68245673  0.36491146  1.0
  B  B2  1  0.31754327  0.31754327  0.63508854  1.0
  Ir  Ir3  1  0.75000000  0.25000000  0.50000000  1.0
  Ir  Ir4  1  0.25000000  0.75000000  0.50000000  1.0