# generated using pymatgen
data_BaPr2FeS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.79457240
_cell_length_b   8.79457240
_cell_length_c   8.79457240
_cell_angle_alpha   126.28914881
_cell_angle_beta   126.28914881
_cell_angle_gamma   79.41342297
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPr2FeS5
_chemical_formula_sum   'Ba2 Pr4 Fe2 S10'
_cell_volume   427.16185452
_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  0.75000000  0.75000000  0.00000000  1.0
  Ba  Ba1  1  0.25000000  0.25000000  0.00000000  1.0
  Pr  Pr2  1  0.83807700  0.66192300  0.50000000  1.0
  Pr  Pr3  1  0.66192300  0.16192300  0.82384600  1.0
  Pr  Pr4  1  0.33807700  0.83807700  0.17615400  1.0
  Pr  Pr5  1  0.16192300  0.33807700  0.50000000  1.0
  Fe  Fe6  1  0.25000000  0.75000000  0.50000000  1.0
  Fe  Fe7  1  0.75000000  0.25000000  0.50000000  1.0
  S  S8  1  0.98853600  0.48853600  0.20458000  1.0
  S  S9  1  0.71604400  0.21604400  0.20458000  1.0
  S  S10  1  0.01146400  0.51146400  0.79542000  1.0
  S  S11  1  0.51146400  0.71604400  0.50000000  1.0
  S  S12  1  0.21604400  0.01146400  0.50000000  1.0
  S  S13  1  0.48853600  0.28395600  0.50000000  1.0
  S  S14  1  0.78395600  0.98853600  0.50000000  1.0
  S  S15  1  0.28395600  0.78395600  0.79542000  1.0
  S  S16  1  0.00000000  0.00000000  0.00000000  1.0
  S  S17  1  0.50000000  0.50000000  0.00000000  1.0