# generated using pymatgen
data_Pr3BCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.91356001
_cell_length_b   9.91355945
_cell_length_c   9.91355978
_cell_angle_alpha   109.47122335
_cell_angle_beta   109.47122220
_cell_angle_gamma   109.47121735
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3BCl3
_chemical_formula_sum   'Pr12 B4 Cl12'
_cell_volume   750.00988723
_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
  Pr  Pr0  1  0.47480627  0.48740214  0.23740214  1.0
  Pr  Pr1  1  0.75000000  0.23740214  0.26259786  1.0
  Pr  Pr2  1  0.75000000  0.01259786  0.48740214  1.0
  Pr  Pr3  1  0.23740214  0.47480627  0.48740214  1.0
  Pr  Pr4  1  0.26259786  0.75000000  0.23740214  1.0
  Pr  Pr5  1  0.02519373  0.26259786  0.01259786  1.0
  Pr  Pr6  1  0.01259786  0.02519373  0.26259786  1.0
  Pr  Pr7  1  0.48740214  0.75000000  0.01259786  1.0
  Pr  Pr8  1  0.48740214  0.23740214  0.47480627  1.0
  Pr  Pr9  1  0.01259786  0.48740214  0.75000000  1.0
  Pr  Pr10  1  0.26259786  0.01259786  0.02519373  1.0
  Pr  Pr11  1  0.23740214  0.26259786  0.75000000  1.0
  B  B12  1  0.25000000  0.25000000  0.25000000  1.0
  B  B13  1  0.50000000  0.00000000  0.25000000  1.0
  B  B14  1  0.00000000  0.25000000  0.50000000  1.0
  B  B15  1  0.25000000  0.50000000  0.00000000  1.0
  Cl  Cl16  1  0.25000000  0.75482586  0.74517414  1.0
  Cl  Cl17  1  0.50965071  0.50482586  0.75482586  1.0
  Cl  Cl18  1  0.99034929  0.74517414  0.99517414  1.0
  Cl  Cl19  1  0.74517414  0.25000000  0.75482586  1.0
  Cl  Cl20  1  0.99517414  0.99034929  0.74517414  1.0
  Cl  Cl21  1  0.25000000  0.99517414  0.50482586  1.0
  Cl  Cl22  1  0.75482586  0.50965071  0.50482586  1.0
  Cl  Cl23  1  0.50482586  0.25000000  0.99517414  1.0
  Cl  Cl24  1  0.75482586  0.74517414  0.25000000  1.0
  Cl  Cl25  1  0.74517414  0.99517414  0.99034929  1.0
  Cl  Cl26  1  0.99517414  0.50482586  0.25000000  1.0
  Cl  Cl27  1  0.50482586  0.75482586  0.50965071  1.0