# generated using pymatgen
data_Sm12Si(BBr4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.05445432
_cell_length_b   10.05445481
_cell_length_c   10.05445469
_cell_angle_alpha   109.72790796
_cell_angle_beta   109.72790633
_cell_angle_gamma   109.72790089
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm12Si(BBr4)3
_chemical_formula_sum   'Sm12 Si1 B3 Br12'
_cell_volume   774.91959331
_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
  Sm  Sm0  1  0.47151903  0.49458749  0.22839279  1.0
  Sm  Sm1  1  0.75000000  0.23000471  0.26999529  1.0
  Sm  Sm2  1  0.75000000  0.01828403  0.48171597  1.0
  Sm  Sm3  1  0.22839279  0.47151903  0.49458749  1.0
  Sm  Sm4  1  0.26999529  0.75000000  0.23000471  1.0
  Sm  Sm5  1  0.02848097  0.27160721  0.00541251  1.0
  Sm  Sm6  1  0.00541251  0.02848097  0.27160721  1.0
  Sm  Sm7  1  0.48171597  0.75000000  0.01828403  1.0
  Sm  Sm8  1  0.49458749  0.22839279  0.47151903  1.0
  Sm  Sm9  1  0.01828403  0.48171597  0.75000000  1.0
  Sm  Sm10  1  0.27160721  0.00541251  0.02848097  1.0
  Sm  Sm11  1  0.23000471  0.26999529  0.75000000  1.0
  Si  Si12  1  0.25000000  0.25000000  0.25000000  1.0
  B  B13  1  0.50043463  0.99956537  0.25000000  1.0
  B  B14  1  0.99956537  0.25000000  0.50043463  1.0
  B  B15  1  0.25000000  0.50043463  0.99956537  1.0
  Br  Br16  1  0.25000000  0.75844700  0.74155300  1.0
  Br  Br17  1  0.51446949  0.50725410  0.75872872  1.0
  Br  Br18  1  0.98553051  0.74127128  0.99274590  1.0
  Br  Br19  1  0.74155300  0.25000000  0.75844700  1.0
  Br  Br20  1  0.99274590  0.98553051  0.74127128  1.0
  Br  Br21  1  0.25000000  0.99313156  0.50686844  1.0
  Br  Br22  1  0.75872872  0.51446949  0.50725410  1.0
  Br  Br23  1  0.50686844  0.25000000  0.99313156  1.0
  Br  Br24  1  0.75844700  0.74155300  0.25000000  1.0
  Br  Br25  1  0.74127128  0.99274590  0.98553051  1.0
  Br  Br26  1  0.99313156  0.50686844  0.25000000  1.0
  Br  Br27  1  0.50725410  0.75872872  0.51446949  1.0