# generated using pymatgen
data_PaCrFeB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39972657
_cell_length_b   5.39972712
_cell_length_c   5.39972759
_cell_angle_alpha   146.59913155
_cell_angle_beta   109.03320745
_cell_angle_gamma   80.73763248
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PaCrFeB6
_chemical_formula_sum   'Pa1 Cr1 Fe1 B6'
_cell_volume   80.03571800
_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  0.00259579  0.00259579  0.00000000  1.0
  Cr  Cr1  1  0.34305246  0.84305346  0.50000000  1.0
  Fe  Fe2  1  0.65275438  0.15275438  0.50000000  1.0
  B  B3  1  0.54822367  0.30439084  0.24383283  1.0
  B  B4  1  0.46353596  0.69620786  0.76732810  1.0
  B  B5  1  0.92887875  0.69620786  0.23267190  1.0
  B  B6  1  0.35710459  0.50020049  0.85690410  1.0
  B  B7  1  0.64329639  0.50020049  0.14309590  1.0
  B  B8  1  0.06055901  0.30439084  0.75616717  1.0