# generated using pymatgen
data_CuBIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60014373
_cell_length_b   5.94840468
_cell_length_c   5.42940436
_cell_angle_alpha   70.74579015
_cell_angle_beta   58.30336759
_cell_angle_gamma   50.95084225
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBIr
_chemical_formula_sum   'Cu4 B4 Ir4'
_cell_volume   140.84934266
_cell_formula_units_Z   4
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
  Cu  Cu0  1  0.94190184  0.78670455  0.38838546  1.0
  Cu  Cu1  1  0.46329545  0.30809816  0.36699186  1.0
  Cu  Cu2  1  0.86161454  0.36699186  0.30809816  1.0
  Cu  Cu3  1  0.88300814  0.38838546  0.78670455  1.0
  B  B4  1  0.05298634  0.98382291  0.56513455  1.0
  B  B5  1  0.68486545  0.85194279  0.19701366  1.0
  B  B6  1  0.39805721  0.56513455  0.98382291  1.0
  B  B7  1  0.26617709  0.19701366  0.85194279  1.0
  Ir  Ir8  1  0.09639065  0.62954250  0.87121204  1.0
  Ir  Ir9  1  0.37878796  0.84714418  0.15360935  1.0
  Ir  Ir10  1  0.62045750  0.15360935  0.84714418  1.0
  Ir  Ir11  1  0.40285582  0.87121204  0.62954250  1.0