# generated using pymatgen
data_Sm8C3SeBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86381675
_cell_length_b   11.23837398
_cell_length_c   21.03246076
_cell_angle_alpha   92.66217517
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm8C3SeBr6
_chemical_formula_sum   'Sm16 C6 Se2 Br12'
_cell_volume   912.30724916
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.25000000  0.87773291  0.57372315  1.0
  Sm  Sm1  1  0.75000000  0.12226709  0.42627685  1.0
  Sm  Sm2  1  0.75000000  0.64010215  0.07939899  1.0
  Sm  Sm3  1  0.25000000  0.35989785  0.92060101  1.0
  Sm  Sm4  1  0.25000000  0.89231407  0.73740713  1.0
  Sm  Sm5  1  0.75000000  0.10768593  0.26259287  1.0
  Sm  Sm6  1  0.75000000  0.65141764  0.24192064  1.0
  Sm  Sm7  1  0.25000000  0.34858236  0.75807936  1.0
  Sm  Sm8  1  0.25000000  0.87025224  0.16986495  1.0
  Sm  Sm9  1  0.75000000  0.12974776  0.83013505  1.0
  Sm  Sm10  1  0.75000000  0.65372627  0.65112350  1.0
  Sm  Sm11  1  0.25000000  0.34627373  0.34887650  1.0
  Sm  Sm12  1  0.25000000  0.88999435  0.33327376  1.0
  Sm  Sm13  1  0.75000000  0.11000565  0.66672624  1.0
  Sm  Sm14  1  0.75000000  0.58562074  0.84403850  1.0
  Sm  Sm15  1  0.25000000  0.41437926  0.15596150  1.0
  C  C16  1  0.75000000  0.88012752  0.25348039  1.0
  C  C17  1  0.25000000  0.11987248  0.74651961  1.0
  C  C18  1  0.25000000  0.63476440  0.15432138  1.0
  C  C19  1  0.75000000  0.36523560  0.84567862  1.0
  C  C20  1  0.75000000  0.87387881  0.64927758  1.0
  C  C21  1  0.25000000  0.12612119  0.35072242  1.0
  Se  Se22  1  0.25000000  0.61949572  0.74786732  1.0
  Se  Se23  1  0.75000000  0.38050428  0.25213268  1.0
  Br  Br24  1  0.25000000  0.62150286  0.54550137  1.0
  Br  Br25  1  0.75000000  0.37849714  0.45449863  1.0
  Br  Br26  1  0.75000000  0.88770198  0.05852839  1.0
  Br  Br27  1  0.25000000  0.11229802  0.94147161  1.0
  Br  Br28  1  0.25000000  0.62588152  0.95617081  1.0
  Br  Br29  1  0.75000000  0.37411848  0.04382919  1.0
  Br  Br30  1  0.75000000  0.86653710  0.45296239  1.0
  Br  Br31  1  0.25000000  0.13346290  0.54703761  1.0
  Br  Br32  1  0.25000000  0.62754705  0.35328527  1.0
  Br  Br33  1  0.75000000  0.37245295  0.64671473  1.0
  Br  Br34  1  0.75000000  0.86477710  0.84853109  1.0
  Br  Br35  1  0.25000000  0.13522290  0.15146891  1.0