# generated using pymatgen
data_Pa2NiB8Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90224870
_cell_length_b   6.90224148
_cell_length_c   6.90224272
_cell_angle_alpha   111.32272840
_cell_angle_beta   113.68033558
_cell_angle_gamma   103.57639824
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pa2NiB8Ir
_chemical_formula_sum   'Pa4 Ni2 B16 Ir2'
_cell_volume   251.03346987
_cell_formula_units_Z   2
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
  Pa  Pa0  1  0.79713711  0.79713743  0.99999990  1.0
  Pa  Pa1  1  0.20286289  0.20286257  0.00000010  1.0
  Pa  Pa2  1  0.75253933  0.25254013  0.50000022  1.0
  Pa  Pa3  1  0.24746067  0.74745987  0.49999978  1.0
  Ni  Ni4  1  0.49999919  0.74427238  0.24427148  1.0
  Ni  Ni5  1  0.50000081  0.25572762  0.75572852  1.0
  B  B6  1  0.27205100  0.10707414  0.37912499  1.0
  B  B7  1  0.72794900  0.89292586  0.62087501  1.0
  B  B8  1  0.27205173  0.89292538  0.16497736  1.0
  B  B9  1  0.72794827  0.10707462  0.83502264  1.0
  B  B10  1  0.10992663  0.73368112  0.84360787  1.0
  B  B11  1  0.89007337  0.26631888  0.15639213  1.0
  B  B12  1  0.10992618  0.26631887  0.37624490  1.0
  B  B13  1  0.89007382  0.73368113  0.62375510  1.0
  B  B14  1  0.11543528  0.10786835  0.53101056  1.0
  B  B15  1  0.57685790  0.58442507  0.46898943  1.0
  B  B16  1  0.11543537  0.58442480  0.00756719  1.0
  B  B17  1  0.57685728  0.10786826  0.99243218  1.0
  B  B18  1  0.88456472  0.89213165  0.46898944  1.0
  B  B19  1  0.42314210  0.41557493  0.53101057  1.0
  B  B20  1  0.88456463  0.41557520  0.99243281  1.0
  B  B21  1  0.42314272  0.89213174  0.00756782  1.0
  Ir  Ir22  1  0.27669692  0.49999979  0.77669705  1.0
  Ir  Ir23  1  0.72330308  0.50000021  0.22330295  1.0