# generated using pymatgen
data_HfCo2B2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79701199
_cell_length_b   5.79701164
_cell_length_c   5.79701134
_cell_angle_alpha   95.09495164
_cell_angle_beta   95.09495093
_cell_angle_gamma   95.09493257
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCo2B2Ir
_chemical_formula_sum   'Hf3 Co6 B6 Ir3'
_cell_volume   192.35405864
_cell_formula_units_Z   3
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
  Hf  Hf0  1  0.00000000  0.00000000  0.00000000  1.0
  Hf  Hf1  1  0.66721695  0.66721695  0.66721695  1.0
  Hf  Hf2  1  0.33278305  0.33278305  0.33278305  1.0
  Co  Co3  1  0.69046704  0.21030486  0.69046704  1.0
  Co  Co4  1  0.69046704  0.69046704  0.21030486  1.0
  Co  Co5  1  0.21030486  0.69046704  0.69046704  1.0
  Co  Co6  1  0.30953296  0.78969514  0.30953296  1.0
  Co  Co7  1  0.30953296  0.30953296  0.78969514  1.0
  Co  Co8  1  0.78969514  0.30953296  0.30953296  1.0
  B  B9  1  0.38477282  0.00000000  0.61522718  1.0
  B  B10  1  0.61522718  0.38477282  1.00000000  1.0
  B  B11  1  1.00000000  0.61522718  0.38477282  1.0
  B  B12  1  0.61522718  1.00000000  0.38477282  1.0
  B  B13  1  0.38477282  0.61522718  0.00000000  1.0
  B  B14  1  0.00000000  0.38477282  0.61522718  1.0
  Ir  Ir15  1  0.50000000  0.00000000  0.00000000  1.0
  Ir  Ir16  1  0.00000000  0.50000000  0.00000000  1.0
  Ir  Ir17  1  0.00000000  0.00000000  0.50000000  1.0