# generated using pymatgen
data_Pr3CBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.96518577
_cell_length_b   9.96494112
_cell_length_c   9.96523998
_cell_angle_alpha   109.47113946
_cell_angle_beta   109.47431446
_cell_angle_gamma   109.46904571
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3CBr3
_chemical_formula_sum   'Pr12 C4 Br12'
_cell_volume   761.76587949
_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  0.46039906  0.48021980  0.23018487  1.0
  Pr  Pr1  1  0.74994798  0.23016662  0.26979276  1.0
  Pr  Pr2  1  0.74995108  0.01977589  0.48015463  1.0
  Pr  Pr3  1  0.23021654  0.46042580  0.48020880  1.0
  Pr  Pr4  1  0.26983769  0.75001582  0.23017778  1.0
  Pr  Pr5  1  0.03962147  0.26982286  0.01978925  1.0
  Pr  Pr6  1  0.01979044  0.03957612  0.26978460  1.0
  Pr  Pr7  1  0.48018439  0.75001599  0.01983682  1.0
  Pr  Pr8  1  0.48021168  0.23016074  0.46036720  1.0
  Pr  Pr9  1  0.01982418  0.48022248  0.75003452  1.0
  Pr  Pr10  1  0.26983093  0.01978158  0.03962394  1.0
  Pr  Pr11  1  0.23020618  0.26981798  0.75003643  1.0
  C  C12  1  0.25002079  0.24999670  0.24998798  1.0
  C  C13  1  0.49999576  -0.00001196  0.24999158  1.0
  C  C14  1  -0.00001877  0.24999605  0.50000383  1.0
  C  C15  1  0.25001897  0.50003124  0.00001645  1.0
  Br  Br16  1  0.25001572  0.76049014  0.73958594  1.0
  Br  Br17  1  0.52092323  0.51044869  0.76047916  1.0
  Br  Br18  1  0.97908172  0.73954239  0.98953887  1.0
  Br  Br19  1  0.73954433  0.24997130  0.76043488  1.0
  Br  Br20  1  0.98953312  0.97907846  0.73954597  1.0
  Br  Br21  1  0.25003051  0.98955250  0.51046904  1.0
  Br  Br22  1  0.76044168  0.52090893  0.51047310  1.0
  Br  Br23  1  0.51043432  0.24997159  0.98953119  1.0
  Br  Br24  1  0.76042019  0.73952651  0.25000083  1.0
  Br  Br25  1  0.73952805  0.98955448  0.97908440  1.0
  Br  Br26  1  0.98952855  0.51044933  0.24996676  1.0
  Br  Br27  1  0.51047919  0.76049196  0.52089841  1.0