# generated using pymatgen
data_PaReB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65964076
_cell_length_b   5.96991327
_cell_length_c   11.57744967
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PaReB4
_chemical_formula_sum   'Pa4 Re4 B16'
_cell_volume   252.94108658
_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
  Pa  Pa0  1  0.00000000  0.62814725  0.14991216  1.0
  Pa  Pa1  1  0.00000000  0.37185275  0.85008784  1.0
  Pa  Pa2  1  0.00000000  0.12814725  0.35008784  1.0
  Pa  Pa3  1  0.00000000  0.87185275  0.64991216  1.0
  Re  Re4  1  0.00000000  0.63940515  0.40568873  1.0
  Re  Re5  1  0.00000000  0.36059485  0.59431127  1.0
  Re  Re6  1  0.00000000  0.13940515  0.09431127  1.0
  Re  Re7  1  0.00000000  0.86059485  0.90568873  1.0
  B  B8  1  0.50000000  0.97264072  0.19103998  1.0
  B  B9  1  0.50000000  0.02735928  0.80896002  1.0
  B  B10  1  0.50000000  0.47264072  0.30896002  1.0
  B  B11  1  0.50000000  0.52735928  0.69103998  1.0
  B  B12  1  0.50000000  0.78916750  0.31239480  1.0
  B  B13  1  0.50000000  0.21083250  0.68760520  1.0
  B  B14  1  0.50000000  0.28916750  0.18760520  1.0
  B  B15  1  0.50000000  0.71083250  0.81239480  1.0
  B  B16  1  0.50000000  0.86440565  0.46813798  1.0
  B  B17  1  0.50000000  0.13559435  0.53186202  1.0
  B  B18  1  0.50000000  0.36440565  0.03186202  1.0
  B  B19  1  0.50000000  0.63559435  0.96813798  1.0
  B  B20  1  0.50000000  0.88735450  0.04584149  1.0
  B  B21  1  0.50000000  0.11264550  0.95415851  1.0
  B  B22  1  0.50000000  0.38735450  0.45415851  1.0
  B  B23  1  0.50000000  0.61264550  0.54584149  1.0