# generated using pymatgen
data_BaSm2FeS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.72053886
_cell_length_b   8.72053886
_cell_length_c   8.72053886
_cell_angle_alpha   126.71675485
_cell_angle_beta   126.71675485
_cell_angle_gamma   78.71326173
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSm2FeS5
_chemical_formula_sum   'Ba2 Sm4 Fe2 S10'
_cell_volume   412.41768699
_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
  Ba  Ba0  1  0.25000000  0.25000000  0.00000000  1.0
  Ba  Ba1  1  0.75000000  0.75000000  0.00000000  1.0
  Sm  Sm2  1  0.33813000  0.16187000  0.50000000  1.0
  Sm  Sm3  1  0.16187000  0.66187000  0.82374000  1.0
  Sm  Sm4  1  0.83813000  0.33813000  0.17626000  1.0
  Sm  Sm5  1  0.66187000  0.83813000  0.50000000  1.0
  Fe  Fe6  1  0.75000000  0.25000000  0.50000000  1.0
  Fe  Fe7  1  0.25000000  0.75000000  0.50000000  1.0
  S  S8  1  0.48624000  0.98624000  0.20473500  1.0
  S  S9  1  0.21849500  0.71849500  0.20473500  1.0
  S  S10  1  0.51376000  0.01376000  0.79526500  1.0
  S  S11  1  0.01376000  0.21849500  0.50000000  1.0
  S  S12  1  0.71849500  0.51376000  0.50000000  1.0
  S  S13  1  0.98624000  0.78150500  0.50000000  1.0
  S  S14  1  0.28150500  0.48624000  0.50000000  1.0
  S  S15  1  0.78150500  0.28150500  0.79526500  1.0
  S  S16  1  0.50000000  0.50000000  0.00000000  1.0
  S  S17  1  0.00000000  0.00000000  0.00000000  1.0