# generated using pymatgen
data_Pr6B2(CI)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.95904591
_cell_length_b   3.95111424
_cell_length_c   10.61541842
_cell_angle_alpha   89.99773089
_cell_angle_beta   113.99389100
_cell_angle_gamma   90.00003956
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr6B2(CI)3
_chemical_formula_sum   'Pr6 B2 C3 I3'
_cell_volume   343.29639383
_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
  Pr  Pr0  1  0.37099940  0.49999587  0.23132186  1.0
  Pr  Pr1  1  0.62900049  0.50000204  0.76867828  1.0
  Pr  Pr2  1  0.95644639  0.50001603  0.15991164  1.0
  Pr  Pr3  1  0.04355352  0.49998179  0.84008828  1.0
  Pr  Pr4  1  0.29354072  0.99999936  0.47664622  1.0
  Pr  Pr5  1  0.70645901  0.99999943  0.52335437  1.0
  B  B6  1  0.08851874  0.00001128  0.06666534  1.0
  B  B7  1  0.91148106  0.99998687  0.93333467  1.0
  C  C8  1  0.17033198  0.99999887  0.22233540  1.0
  C  C9  1  0.82966837  0.99999934  0.77766561  1.0
  C  C10  1  0.49999974  0.49999919  0.50000013  1.0
  I  I11  1  0.65156011  0.00000966  0.18694604  1.0
  I  I12  1  0.34844249  0.00000113  0.81305186  1.0
  I  I13  1  0.99999998  0.50000513  0.50000030  1.0