# generated using pymatgen
data_Tb3SmC2Br3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71472088
_cell_length_b   10.81208777
_cell_length_c   20.62516959
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3SmC2Br3
_chemical_formula_sum   'Tb12 Sm4 C8 Br12'
_cell_volume   828.38700639
_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
  Tb  Tb0  1  0.25000000  0.86831327  0.74424364  1.0
  Tb  Tb1  1  0.75000000  0.13168673  0.25575636  1.0
  Tb  Tb2  1  0.75000000  0.63168673  0.24424364  1.0
  Tb  Tb3  1  0.25000000  0.36831327  0.75575636  1.0
  Tb  Tb4  1  0.25000000  0.86736875  0.16980379  1.0
  Tb  Tb5  1  0.75000000  0.13263125  0.83019621  1.0
  Tb  Tb6  1  0.75000000  0.63263125  0.66980379  1.0
  Tb  Tb7  1  0.25000000  0.36736875  0.33019621  1.0
  Tb  Tb8  1  0.25000000  0.89771264  0.32894613  1.0
  Tb  Tb9  1  0.75000000  0.10228736  0.67105387  1.0
  Tb  Tb10  1  0.75000000  0.60228736  0.82894613  1.0
  Tb  Tb11  1  0.25000000  0.39771264  0.17105387  1.0
  Sm  Sm12  1  0.25000000  0.86568294  0.57867646  1.0
  Sm  Sm13  1  0.75000000  0.13431706  0.42132354  1.0
  Sm  Sm14  1  0.75000000  0.63431706  0.07867646  1.0
  Sm  Sm15  1  0.25000000  0.36568294  0.92132354  1.0
  C  C16  1  0.25000000  0.61651686  0.75110692  1.0
  C  C17  1  0.75000000  0.38348314  0.24889308  1.0
  C  C18  1  0.75000000  0.88348314  0.25110692  1.0
  C  C19  1  0.25000000  0.11651686  0.74889308  1.0
  C  C20  1  0.25000000  0.63165013  0.15735208  1.0
  C  C21  1  0.75000000  0.36834987  0.84264792  1.0
  C  C22  1  0.75000000  0.86834987  0.65735208  1.0
  C  C23  1  0.25000000  0.13165013  0.34264792  1.0
  Br  Br24  1  0.25000000  0.60767477  0.55742477  1.0
  Br  Br25  1  0.75000000  0.39232523  0.44257523  1.0
  Br  Br26  1  0.75000000  0.89232523  0.05742477  1.0
  Br  Br27  1  0.25000000  0.10767477  0.94257523  1.0
  Br  Br28  1  0.25000000  0.63252775  0.95141025  1.0
  Br  Br29  1  0.75000000  0.36747225  0.04858975  1.0
  Br  Br30  1  0.75000000  0.86747225  0.45141025  1.0
  Br  Br31  1  0.25000000  0.13252775  0.54858975  1.0
  Br  Br32  1  0.25000000  0.63418205  0.35574736  1.0
  Br  Br33  1  0.75000000  0.36581795  0.64425264  1.0
  Br  Br34  1  0.75000000  0.86581795  0.85574736  1.0
  Br  Br35  1  0.25000000  0.13418205  0.14425264  1.0