# generated using pymatgen
data_Sm12Si3GeBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.21436748
_cell_length_b   10.24379393
_cell_length_c   10.24379880
_cell_angle_alpha   109.52694537
_cell_angle_beta   109.40996476
_cell_angle_gamma   109.41855639
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm12Si3GeBr12
_chemical_formula_sum   'Sm12 Si3 Ge1 Br12'
_cell_volume   825.70052618
_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  0.47878060  0.48697111  0.24080901  1.0
  Sm  Sm1  1  0.74999023  0.23912112  0.26086512  1.0
  Sm  Sm2  1  0.75000795  0.01143608  0.48856731  1.0
  Sm  Sm3  1  0.23855821  0.47712984  0.48856711  1.0
  Sm  Sm4  1  0.26202598  0.75383575  0.24080769  1.0
  Sm  Sm5  1  0.02122048  0.25919619  0.01302601  1.0
  Sm  Sm6  1  0.01087238  0.02174298  0.26086517  1.0
  Sm  Sm7  1  0.49180429  0.75382876  0.01302687  1.0
  Sm  Sm8  1  0.48913329  0.23913315  0.47826770  1.0
  Sm  Sm9  1  0.00819077  0.48697587  0.74616643  1.0
  Sm  Sm10  1  0.26143458  0.01143610  0.02286949  1.0
  Sm  Sm11  1  0.23797700  0.25919069  0.74616735  1.0
  Si  Si12  1  0.25000178  0.24978056  0.25022117  1.0
  Si  Si13  1  0.50021786  0.00043937  0.25022109  1.0
  Si  Si14  1  0.99977565  0.24977544  0.49955273  1.0
  Ge  Ge15  1  0.25000003  0.49999990  0.00000169  1.0
  Br  Br16  1  0.24998365  0.75490828  0.74509107  1.0
  Br  Br17  1  0.51092958  0.50586075  0.75602978  1.0
  Br  Br18  1  0.98905431  0.74397914  0.99411939  1.0
  Br  Br19  1  0.74510628  0.25017157  0.75603098  1.0
  Br  Br20  1  0.99510367  0.99018018  0.74508961  1.0
  Br  Br21  1  0.25001505  0.99386490  0.50614619  1.0
  Br  Br22  1  0.75613215  0.51227985  0.50614538  1.0
  Br  Br23  1  0.50506827  0.25014438  0.99412164  1.0
  Br  Br24  1  0.75493484  0.74398085  0.24984516  1.0
  Br  Br25  1  0.74385875  0.99385951  0.98769858  1.0
  Br  Br26  1  0.99490572  0.50585965  0.24984183  1.0
  Br  Br27  1  0.50491665  0.75491802  0.50983743  1.0