# generated using pymatgen
data_BaNd2FeS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76646811
_cell_length_b   8.76646811
_cell_length_c   8.76646811
_cell_angle_alpha   126.45383576
_cell_angle_beta   126.45383576
_cell_angle_gamma   79.14350256
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNd2FeS5
_chemical_formula_sum   'Ba2 Nd4 Fe2 S10'
_cell_volume   421.50236410
_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
  Nd  Nd2  1  0.33809200  0.16190800  0.50000000  1.0
  Nd  Nd3  1  0.16190800  0.66190800  0.82381600  1.0
  Nd  Nd4  1  0.83809200  0.33809200  0.17618400  1.0
  Nd  Nd5  1  0.66190800  0.83809200  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  0.48766200  0.98766200  0.20457900  1.0
  S  S9  1  0.21691600  0.71691600  0.20457900  1.0
  S  S10  1  0.51233800  0.01233800  0.79542100  1.0
  S  S11  1  0.01233800  0.21691600  0.50000000  1.0
  S  S12  1  0.71691600  0.51233800  0.50000000  1.0
  S  S13  1  0.98766200  0.78308400  0.50000000  1.0
  S  S14  1  0.28308400  0.48766200  0.50000000  1.0
  S  S15  1  0.78308400  0.28308400  0.79542100  1.0
  S  S16  1  0.50000000  0.50000000  0.00000000  1.0
  S  S17  1  0.00000000  0.00000000  0.00000000  1.0