# generated using pymatgen
data_PaTaCrB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48808242
_cell_length_b   8.87255839
_cell_length_c   11.21878101
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PaTaCrB6
_chemical_formula_sum   'Pa4 Ta4 Cr4 B24'
_cell_volume   347.20124596
_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  0.82354425  0.08596795  1.0
  Pa  Pa1  1  0.00000000  0.17645575  0.91403205  1.0
  Pa  Pa2  1  0.00000000  0.32354425  0.41403205  1.0
  Pa  Pa3  1  0.00000000  0.67645575  0.58596795  1.0
  Ta  Ta4  1  0.00000000  0.44495805  0.12785882  1.0
  Ta  Ta5  1  0.00000000  0.55504195  0.87214118  1.0
  Ta  Ta6  1  0.00000000  0.94495805  0.37214118  1.0
  Ta  Ta7  1  0.00000000  0.05504195  0.62785882  1.0
  Cr  Cr8  1  0.00000000  0.14413502  0.18281854  1.0
  Cr  Cr9  1  0.00000000  0.85586498  0.81718146  1.0
  Cr  Cr10  1  0.00000000  0.64413502  0.31718146  1.0
  Cr  Cr11  1  0.00000000  0.35586498  0.68281854  1.0
  B  B12  1  0.50000000  0.05509447  0.06799309  1.0
  B  B13  1  0.50000000  0.94490553  0.93200691  1.0
  B  B14  1  0.50000000  0.55509447  0.43200691  1.0
  B  B15  1  0.50000000  0.44490553  0.56799309  1.0
  B  B16  1  0.50000000  0.25432970  0.08266311  1.0
  B  B17  1  0.50000000  0.74567030  0.91733689  1.0
  B  B18  1  0.50000000  0.75432970  0.41733689  1.0
  B  B19  1  0.50000000  0.24567030  0.58266311  1.0
  B  B20  1  0.50000000  0.29643719  0.23561711  1.0
  B  B21  1  0.50000000  0.70356281  0.76438289  1.0
  B  B22  1  0.50000000  0.79643719  0.26438289  1.0
  B  B23  1  0.50000000  0.20356281  0.73561711  1.0
  B  B24  1  0.50000000  0.13006497  0.31749178  1.0
  B  B25  1  0.50000000  0.86993503  0.68250822  1.0
  B  B26  1  0.50000000  0.63006497  0.18250822  1.0
  B  B27  1  0.50000000  0.36993503  0.81749178  1.0
  B  B28  1  0.50000000  0.48284740  0.28549335  1.0
  B  B29  1  0.50000000  0.51715260  0.71450665  1.0
  B  B30  1  0.50000000  0.98284740  0.21450665  1.0
  B  B31  1  0.50000000  0.01715260  0.78549335  1.0
  B  B32  1  0.50000000  0.10006399  0.47342850  1.0
  B  B33  1  0.50000000  0.89993601  0.52657150  1.0
  B  B34  1  0.50000000  0.60006399  0.02657150  1.0
  B  B35  1  0.50000000  0.39993601  0.97342850  1.0