# generated using pymatgen
data_Sm6SiGeBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.23166268
_cell_length_b   10.23166296
_cell_length_c   10.24923012
_cell_angle_alpha   109.47502561
_cell_angle_beta   109.47502818
_cell_angle_gamma   109.39404326
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm6SiGeBr6
_chemical_formula_sum   'Sm12 Si2 Ge2 Br12'
_cell_volume   826.67321946
_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  0.47877509  0.48673187  0.24080228  1.0
  Sm  Sm1  1  0.74592959  0.23797381  0.25919772  1.0
  Sm  Sm2  1  0.74567055  0.00836983  0.48620584  1.0
  Sm  Sm3  1  0.24053529  0.47783501  0.48620584  1.0
  Sm  Sm4  1  0.26202619  0.75407041  0.24080228  1.0
  Sm  Sm5  1  0.02216499  0.25946471  0.01379416  1.0
  Sm  Sm6  1  0.01326813  0.02122491  0.25919772  1.0
  Sm  Sm7  1  0.49163017  0.75432945  0.01379416  1.0
  Sm  Sm8  1  0.48859690  0.23859690  0.47719380  1.0
  Sm  Sm9  1  0.00987702  0.49012298  0.75000000  1.0
  Sm  Sm10  1  0.26140310  0.01140310  0.02280620  1.0
  Sm  Sm11  1  0.24012298  0.25987702  0.75000000  1.0
  Si  Si12  1  0.25033540  0.24966460  0.25000000  1.0
  Si  Si13  1  0.49966460  0.00033540  0.25000000  1.0
  Ge  Ge14  1  0.00002852  0.25002852  0.50005603  1.0
  Ge  Ge15  1  0.24997148  0.49997148  0.99994397  1.0
  Br  Br16  1  0.24980442  0.75408360  0.74445574  1.0
  Br  Br17  1  0.50962687  0.50534868  0.75554426  1.0
  Br  Br18  1  0.98793065  0.74323080  0.99367758  1.0
  Br  Br19  1  0.74591640  0.25019558  0.75554426  1.0
  Br  Br20  1  0.99465132  0.99037313  0.74445574  1.0
  Br  Br21  1  0.24955321  0.99425207  0.50632242  1.0
  Br  Br22  1  0.75676920  0.51206935  0.50632242  1.0
  Br  Br23  1  0.50574793  0.25044679  0.99367758  1.0
  Br  Br24  1  0.75533541  0.74466459  0.25000000  1.0
  Br  Br25  1  0.74461036  0.99461036  0.98922073  1.0
  Br  Br26  1  0.99466459  0.50533541  0.25000000  1.0
  Br  Br27  1  0.50538964  0.75538964  0.51077927  1.0