# generated using pymatgen
data_Ba(FeS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14959519
_cell_length_b   6.14959519
_cell_length_c   6.14959519
_cell_angle_alpha   100.35632431
_cell_angle_beta   100.35632431
_cell_angle_gamma   129.82622886
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(FeS2)2
_chemical_formula_sum   'Ba1 Fe2 S4'
_cell_volume   161.75711251
_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  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.50000000  0.00000000  0.50000000  1.0
  Fe  Fe2  1  0.00000000  0.50000000  0.50000000  1.0
  S  S3  1  0.40291100  0.90291100  0.80582300  1.0
  S  S4  1  0.59708900  0.40291100  0.50000000  1.0
  S  S5  1  0.90291100  0.09708900  0.50000000  1.0
  S  S6  1  0.09708900  0.59708900  0.19417700  1.0