# generated using pymatgen
data_Sm12Fe2Br17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.27907854
_cell_length_b   11.19181445
_cell_length_c   11.27737599
_cell_angle_alpha   93.60824661
_cell_angle_beta   104.62853658
_cell_angle_gamma   114.16390075
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm12Fe2Br17
_chemical_formula_sum   'Sm12 Fe2 Br17'
_cell_volume   1015.38215578
_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  0.06181658  0.51769935  0.32259397  1.0
  Sm  Sm1  1  0.97869093  0.80925080  0.57609340  1.0
  Sm  Sm2  1  0.64420054  0.23842543  0.28669306  1.0
  Sm  Sm3  1  0.02130907  0.19074920  0.42390660  1.0
  Sm  Sm4  1  0.22922211  0.67183070  0.99472371  1.0
  Sm  Sm5  1  0.25895509  0.99334378  0.89173736  1.0
  Sm  Sm6  1  0.35579946  0.76157457  0.71330694  1.0
  Sm  Sm7  1  0.93818342  0.48230065  0.67740603  1.0
  Sm  Sm8  1  0.74104491  0.00665622  0.10826264  1.0
  Sm  Sm9  1  0.15512194  0.28806261  0.14899596  1.0
  Sm  Sm10  1  0.77077789  0.32816930  0.00527629  1.0
  Sm  Sm11  1  0.84487806  0.71193739  0.85100404  1.0
  Fe  Fe12  1  0.10255323  0.73844566  0.78586696  1.0
  Fe  Fe13  1  0.89744677  0.26155434  0.21413304  1.0
  Br  Br14  1  0.78719314  0.52488453  0.42073372  1.0
  Br  Br15  1  0.64164259  0.42097217  0.75843968  1.0
  Br  Br16  1  0.84843886  0.89970456  0.32707819  1.0
  Br  Br17  1  0.32730813  0.21298467  0.36542656  1.0
  Br  Br18  1  0.15156114  0.10029544  0.67292181  1.0
  Br  Br19  1  0.58620414  0.05001593  0.84829416  1.0
  Br  Br20  1  0.76169292  0.18368449  0.53690710  1.0
  Br  Br21  1  0.54613938  0.70651624  0.94991592  1.0
  Br  Br22  1  0.35835741  0.57902783  0.24156032  1.0
  Br  Br23  1  0.21280686  0.47511547  0.57926628  1.0
  Br  Br24  1  0.05597060  0.37108442  0.89987954  1.0
  Br  Br25  1  0.45386062  0.29348376  0.05008408  1.0
  Br  Br26  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br27  1  0.23830708  0.81631551  0.46309290  1.0
  Br  Br28  1  0.41379586  0.94998407  0.15170584  1.0
  Br  Br29  1  0.67269187  0.78701533  0.63457344  1.0
  Br  Br30  1  0.94402940  0.62891558  0.10012046  1.0