# generated using pymatgen
data_Sm4SeBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.10863727
_cell_length_b   13.33663820
_cell_length_c   14.11540930
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm4SeBr6
_chemical_formula_sum   'Sm8 Se2 Br12'
_cell_volume   773.45962185
_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  0.50000000  0.11971226  0.34017116  1.0
  Sm  Sm1  1  0.50000000  0.88028774  0.65982884  1.0
  Sm  Sm2  1  0.50000000  0.61971226  0.15982884  1.0
  Sm  Sm3  1  0.50000000  0.38028774  0.84017116  1.0
  Sm  Sm4  1  0.00000000  0.11719314  0.57847859  1.0
  Sm  Sm5  1  0.00000000  0.88280686  0.42152141  1.0
  Sm  Sm6  1  0.00000000  0.61719314  0.92152141  1.0
  Sm  Sm7  1  0.00000000  0.38280686  0.07847859  1.0
  Se  Se8  1  0.50000000  0.00000000  0.50000000  1.0
  Se  Se9  1  0.50000000  0.50000000  0.00000000  1.0
  Br  Br10  1  0.50000000  0.24516621  0.16342394  1.0
  Br  Br11  1  0.50000000  0.75483379  0.83657606  1.0
  Br  Br12  1  0.50000000  0.74516621  0.33657606  1.0
  Br  Br13  1  0.50000000  0.25483379  0.66342394  1.0
  Br  Br14  1  0.00000000  0.25820504  0.41309811  1.0
  Br  Br15  1  0.00000000  0.74179496  0.58690189  1.0
  Br  Br16  1  0.00000000  0.75820504  0.08690189  1.0
  Br  Br17  1  0.00000000  0.24179496  0.91309811  1.0
  Br  Br18  1  0.00000000  0.00057936  0.24077778  1.0
  Br  Br19  1  0.00000000  0.99942064  0.75922222  1.0
  Br  Br20  1  0.00000000  0.50057936  0.25922222  1.0
  Br  Br21  1  0.00000000  0.49942064  0.74077778  1.0