# generated using pymatgen
data_SrSm6FeBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.27895497
_cell_length_b   9.27895418
_cell_length_c   9.27895479
_cell_angle_alpha   106.02765305
_cell_angle_beta   106.02766011
_cell_angle_gamma   106.02764609
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSm6FeBr12
_chemical_formula_sum   'Sr1 Sm6 Fe1 Br12'
_cell_volume   682.21790481
_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
  Sr  Sr0  1  0.50000000  0.50000000  0.50000000  1.0
  Sm  Sm1  1  0.09956957  0.30547747  0.01774873  1.0
  Sm  Sm2  1  0.01774873  0.09956957  0.30547747  1.0
  Sm  Sm3  1  0.30547747  0.01774873  0.09956957  1.0
  Sm  Sm4  1  0.90043043  0.69452253  0.98225127  1.0
  Sm  Sm5  1  0.98225127  0.90043043  0.69452253  1.0
  Sm  Sm6  1  0.69452253  0.98225127  0.90043043  1.0
  Fe  Fe7  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br8  1  0.44986389  0.36502439  0.14230713  1.0
  Br  Br9  1  0.14230713  0.44986389  0.36502439  1.0
  Br  Br10  1  0.36502439  0.14230713  0.44986389  1.0
  Br  Br11  1  0.55013611  0.63497561  0.85769287  1.0
  Br  Br12  1  0.85769287  0.55013611  0.63497561  1.0
  Br  Br13  1  0.63497561  0.85769287  0.55013611  1.0
  Br  Br14  1  0.77738099  0.32312582  0.92665913  1.0
  Br  Br15  1  0.92665913  0.77738099  0.32312582  1.0
  Br  Br16  1  0.32312582  0.92665913  0.77738099  1.0
  Br  Br17  1  0.22261901  0.67687418  0.07334087  1.0
  Br  Br18  1  0.07334087  0.22261901  0.67687418  1.0
  Br  Br19  1  0.67687418  0.07334087  0.22261901  1.0