# generated using pymatgen
data_Pa4Fe3NiB16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79185725
_cell_length_b   6.79185787
_cell_length_c   6.79185648
_cell_angle_alpha   112.69310893
_cell_angle_beta   112.08466098
_cell_angle_gamma   103.78194463
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pa4Fe3NiB16
_chemical_formula_sum   'Pa4 Fe3 Ni1 B16'
_cell_volume   239.41454197
_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
  Pa  Pa0  1  0.21443836  0.21130355  0.00313878  1.0
  Pa  Pa1  1  0.79183506  0.78869885  0.00314163  1.0
  Pa  Pa2  1  0.73983662  0.24465261  0.49518246  1.0
  Pa  Pa3  1  0.25052875  0.75534501  0.49518119  1.0
  Fe  Fe4  1  0.50067369  0.27301338  0.77368325  1.0
  Fe  Fe5  1  0.50067206  0.72699033  0.22766029  1.0
  Fe  Fe6  1  0.73189705  0.50000179  0.23189622  1.0
  Ni  Ni7  1  0.26801285  0.50000243  0.76800452  1.0
  B  B8  1  0.10929880  0.27283674  0.38213512  1.0
  B  B9  1  0.89061304  0.72606592  0.61668048  1.0
  B  B10  1  0.89061458  0.27393503  0.16455173  1.0
  B  B11  1  0.10929854  0.72716181  0.83646286  1.0
  B  B12  1  0.72470867  0.88907793  0.61379014  1.0
  B  B13  1  0.27332006  0.11047445  0.38379499  1.0
  B  B14  1  0.72471082  0.11091812  0.83563263  1.0
  B  B15  1  0.27332258  0.88952176  0.16284579  1.0
  B  B16  1  0.42228323  0.42075718  0.54052162  1.0
  B  B17  1  0.88253168  0.88112235  0.45964166  1.0
  B  B18  1  0.57852117  0.11887669  0.00141782  1.0
  B  B19  1  0.11977402  0.57924416  0.00152923  1.0
  B  B20  1  0.57851831  0.57710649  0.45963591  1.0
  B  B21  1  0.11976576  0.11824163  0.54052373  1.0
  B  B22  1  0.88254089  0.42289433  0.00141710  1.0
  B  B23  1  0.42228438  0.88175546  0.00152984  1.0