# generated using pymatgen
data_BaB2IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32680774
_cell_length_b   6.32680849
_cell_length_c   6.32680877
_cell_angle_alpha   143.10945924
_cell_angle_beta   143.10947659
_cell_angle_gamma   53.16106206
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaB2IrRu
_chemical_formula_sum   'Ba1 B2 Ir1 Ru1'
_cell_volume   90.69208989
_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  0.69272767  0.69272767  0.00000000  1.0
  B  B2  1  0.30727233  0.30727233  1.00000000  1.0
  Ir  Ir3  1  0.75000000  0.25000000  0.50000000  1.0
  Ru  Ru4  1  0.25000000  0.75000000  0.50000000  1.0