# generated using pymatgen
data_Pr3CuBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.39066591
_cell_length_b   10.39066679
_cell_length_c   10.39066639
_cell_angle_alpha   109.47121604
_cell_angle_beta   109.47121774
_cell_angle_gamma   109.47122452
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3CuBr3
_chemical_formula_sum   'Pr12 Cu4 Br12'
_cell_volume   863.59143991
_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  0.47832099  0.48916100  0.23916100  1.0
  Pr  Pr1  1  0.75000000  0.23916100  0.26083900  1.0
  Pr  Pr2  1  0.75000000  0.01083900  0.48916100  1.0
  Pr  Pr3  1  0.23916100  0.47832099  0.48916100  1.0
  Pr  Pr4  1  0.26083900  0.75000000  0.23916100  1.0
  Pr  Pr5  1  0.02167901  0.26083900  0.01083900  1.0
  Pr  Pr6  1  0.01083900  0.02167901  0.26083900  1.0
  Pr  Pr7  1  0.48916100  0.75000000  0.01083900  1.0
  Pr  Pr8  1  0.48916100  0.23916100  0.47832099  1.0
  Pr  Pr9  1  0.01083900  0.48916100  0.75000000  1.0
  Pr  Pr10  1  0.26083900  0.01083900  0.02167901  1.0
  Pr  Pr11  1  0.23916100  0.26083900  0.75000000  1.0
  Cu  Cu12  1  0.25000000  0.25000000  0.25000000  1.0
  Cu  Cu13  1  0.50000000  0.00000000  0.25000000  1.0
  Cu  Cu14  1  0.00000000  0.25000000  0.50000000  1.0
  Cu  Cu15  1  0.25000000  0.50000000  0.00000000  1.0
  Br  Br16  1  0.25000000  0.75871451  0.74128549  1.0
  Br  Br17  1  0.51742902  0.50871451  0.75871451  1.0
  Br  Br18  1  0.98257098  0.74128549  0.99128549  1.0
  Br  Br19  1  0.74128549  0.25000000  0.75871451  1.0
  Br  Br20  1  0.99128549  0.98257098  0.74128549  1.0
  Br  Br21  1  0.25000000  0.99128549  0.50871451  1.0
  Br  Br22  1  0.75871451  0.51742902  0.50871451  1.0
  Br  Br23  1  0.50871451  0.25000000  0.99128549  1.0
  Br  Br24  1  0.75871451  0.74128549  0.25000000  1.0
  Br  Br25  1  0.74128549  0.99128549  0.98257098  1.0
  Br  Br26  1  0.99128549  0.50871451  0.25000000  1.0
  Br  Br27  1  0.50871451  0.75871451  0.51742902  1.0