# generated using pymatgen
data_Ba6Fe8S15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.54266120
_cell_length_b   9.54266120
_cell_length_c   9.54266120
_cell_angle_alpha   106.39805415
_cell_angle_beta   106.39805415
_cell_angle_gamma   115.80961928
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6Fe8S15
_chemical_formula_sum   'Ba6 Fe8 S15'
_cell_volume   662.73262722
_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
  Ba  Ba0  1  0.86756900  0.74889300  0.61646200  1.0
  Ba  Ba1  1  0.74889300  0.13243100  0.88132500  1.0
  Ba  Ba2  1  0.25110700  0.86756900  0.11867500  1.0
  Ba  Ba3  1  0.13243100  0.25110700  0.38353800  1.0
  Ba  Ba4  1  0.30275300  0.30275300  0.00000000  1.0
  Ba  Ba5  1  0.69724700  0.69724700  0.00000000  1.0
  Fe  Fe6  1  0.57490300  0.27988100  0.58812500  1.0
  Fe  Fe7  1  0.27988100  0.69175500  0.70497700  1.0
  Fe  Fe8  1  0.98677800  0.57490300  0.29502300  1.0
  Fe  Fe9  1  0.69175500  0.98677800  0.41187500  1.0
  Fe  Fe10  1  0.42509700  0.72011900  0.41187500  1.0
  Fe  Fe11  1  0.72011900  0.30824500  0.29502300  1.0
  Fe  Fe12  1  0.01322200  0.42509700  0.70497700  1.0
  Fe  Fe13  1  0.30824500  0.01322200  0.58812500  1.0
  S  S14  1  0.00000000  0.00000000  0.00000000  1.0
  S  S15  1  0.50000000  0.00000000  0.50000000  1.0
  S  S16  1  0.00000000  0.50000000  0.50000000  1.0
  S  S17  1  0.59746000  0.70519100  0.30265000  1.0
  S  S18  1  0.70519100  0.40254000  0.10773100  1.0
  S  S19  1  0.29480900  0.59746000  0.89226900  1.0
  S  S20  1  0.40254000  0.29480900  0.69735000  1.0
  S  S21  1  0.50616100  0.30768800  0.35473100  1.0
  S  S22  1  0.30768800  0.95295800  0.80152800  1.0
  S  S23  1  0.15143000  0.50616100  0.19847200  1.0
  S  S24  1  0.95295800  0.15143000  0.64526900  1.0
  S  S25  1  0.49383900  0.69231200  0.64526900  1.0
  S  S26  1  0.69231200  0.04704200  0.19847200  1.0
  S  S27  1  0.84857000  0.49383900  0.80152800  1.0
  S  S28  1  0.04704200  0.84857000  0.35473100  1.0