# generated using pymatgen
data_Ho4NiB16Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94374438
_cell_length_b   6.94375870
_cell_length_c   6.94375131
_cell_angle_alpha   111.29363005
_cell_angle_beta   112.34947083
_cell_angle_gamma   104.86830123
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho4NiB16Ir3
_chemical_formula_sum   'Ho4 Ni1 B16 Ir3'
_cell_volume   256.46923271
_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
  Ho  Ho0  1  0.78538103  0.78855017  0.00316814  1.0
  Ho  Ho1  1  0.21461897  0.21778710  0.00316914  1.0
  Ho  Ho2  1  0.75234234  0.25254425  0.50020191  1.0
  Ho  Ho3  1  0.24765866  0.74786057  0.50020391  1.0
  Ni  Ni4  1  0.50000000  0.25735421  0.75735421  1.0
  B  B5  1  0.27104378  0.10891030  0.37995408  1.0
  B  B6  1  0.73545251  0.89381445  0.62926696  1.0
  B  B7  1  0.26454649  0.89381445  0.15836194  1.0
  B  B8  1  0.72895622  0.10891030  0.83786653  1.0
  B  B9  1  0.10835883  0.73163132  0.83999015  1.0
  B  B10  1  0.89076004  0.26466966  0.15542870  1.0
  B  B11  1  0.10923996  0.26466966  0.37390962  1.0
  B  B12  1  0.89164117  0.73163132  0.62327349  1.0
  B  B13  1  0.11872845  0.11316077  0.53257879  1.0
  B  B14  1  0.58429157  0.58367311  0.47380883  1.0
  B  B15  1  0.10986528  0.58367311  0.99938154  1.0
  B  B16  1  0.58058098  0.11316077  0.99443133  1.0
  B  B17  1  0.89013472  0.88951726  0.47380883  1.0
  B  B18  1  0.41941902  0.41385034  0.53257979  1.0
  B  B19  1  0.88127055  0.41385134  0.99443233  1.0
  B  B20  1  0.41570843  0.88951726  0.99938154  1.0
  Ir  Ir21  1  0.26765064  0.49673887  0.76438851  1.0
  Ir  Ir22  1  0.73234936  0.49673887  0.22908923  1.0
  Ir  Ir23  1  0.50000000  0.74397050  0.24397050  1.0