# generated using pymatgen
data_Pr4BCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.22750751
_cell_length_b   9.22750744
_cell_length_c   8.20094999
_cell_angle_alpha   104.22999829
_cell_angle_beta   104.22999913
_cell_angle_gamma   25.21639432
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr4BCl5
_chemical_formula_sum   'Pr4 B1 Cl5'
_cell_volume   287.90381042
_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  0.65029613  0.65029613  0.09168976  1.0
  Pr  Pr1  1  0.99849648  0.99849648  0.22309389  1.0
  Pr  Pr2  1  0.00150352  0.00150352  0.77690611  1.0
  Pr  Pr3  1  0.34970387  0.34970387  0.90830924  1.0
  B  B4  1  0.50000000  0.50000000  0.00000000  1.0
  Cl  Cl5  1  0.82899645  0.82899645  0.15026832  1.0
  Cl  Cl6  1  0.16487306  0.16487306  0.34299227  1.0
  Cl  Cl7  1  0.50000000  0.50000000  0.50000000  1.0
  Cl  Cl8  1  0.83512694  0.83512694  0.65700673  1.0
  Cl  Cl9  1  0.17100355  0.17100355  0.84973168  1.0