# generated using pymatgen
data_LaPr9C4Br15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.24102883
_cell_length_b   10.23096217
_cell_length_c   11.17241832
_cell_angle_alpha   70.26217190
_cell_angle_beta   66.19898940
_cell_angle_gamma   70.90367846
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPr9C4Br15
_chemical_formula_sum   'La1 Pr9 C4 Br15'
_cell_volume   887.05253398
_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
  La  La0  1  0.33840006  0.75206619  0.82959154  1.0
  Pr  Pr1  1  0.66579850  0.24790445  0.16985801  1.0
  Pr  Pr2  1  0.17004370  0.42943910  0.04584939  1.0
  Pr  Pr3  1  0.82981488  0.56982594  0.95467324  1.0
  Pr  Pr4  1  0.07837219  0.18016199  0.88754636  1.0
  Pr  Pr5  1  0.92020231  0.81984756  0.11253629  1.0
  Pr  Pr6  1  0.24517377  0.54035459  0.64358271  1.0
  Pr  Pr7  1  0.75334944  0.45889259  0.35632351  1.0
  Pr  Pr8  1  0.02800436  0.10341782  0.26546845  1.0
  Pr  Pr9  1  0.97223483  0.89677756  0.73561577  1.0
  C  C10  1  0.88007685  0.35866322  0.17188949  1.0
  C  C11  1  0.12136626  0.64122570  0.82780724  1.0
  C  C12  1  0.95568466  0.29527125  0.06214501  1.0
  C  C13  1  0.04590621  0.70449146  0.93786811  1.0
  Br  Br14  1  0.50115414  0.49788978  0.00105030  1.0
  Br  Br15  1  0.12993761  0.81441072  0.46822228  1.0
  Br  Br16  1  0.86878377  0.18572580  0.53295321  1.0
  Br  Br17  1  0.25633329  0.03071957  0.64311170  1.0
  Br  Br18  1  0.74313342  0.97176413  0.35530837  1.0
  Br  Br19  1  0.33649505  0.16702119  0.22000402  1.0
  Br  Br20  1  0.66449527  0.83386015  0.77978997  1.0
  Br  Br21  1  0.45121162  0.36895061  0.41348671  1.0
  Br  Br22  1  0.54876282  0.63105530  0.58345289  1.0
  Br  Br23  1  0.94498226  0.44325819  0.70369463  1.0
  Br  Br24  1  0.05299133  0.55695683  0.29682120  1.0
  Br  Br25  1  0.23182178  0.90853524  0.06285427  1.0
  Br  Br26  1  0.76599055  0.09238886  0.93914408  1.0
  Br  Br27  1  0.38706557  0.27163083  0.81607557  1.0
  Br  Br28  1  0.61241251  0.72749438  0.18327470  1.0