# generated using pymatgen
data_BaNd2MnS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87166106
_cell_length_b   8.87166106
_cell_length_c   8.87166106
_cell_angle_alpha   126.95044279
_cell_angle_beta   126.95044279
_cell_angle_gamma   78.33154977
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNd2MnS5
_chemical_formula_sum   'Ba2 Nd4 Mn2 S10'
_cell_volume   431.88163689
_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  0.33811400  0.16188600  0.50000000  1.0
  Nd  Nd3  1  0.16188600  0.66188600  0.82377200  1.0
  Nd  Nd4  1  0.83811400  0.33811400  0.17622800  1.0
  Nd  Nd5  1  0.66188600  0.83811400  0.50000000  1.0
  Mn  Mn6  1  0.75000000  0.25000000  0.50000000  1.0
  Mn  Mn7  1  0.25000000  0.75000000  0.50000000  1.0
  S  S8  1  0.48305400  0.98305400  0.19980800  1.0
  S  S9  1  0.21675400  0.71675400  0.19980800  1.0
  S  S10  1  0.51694600  0.01694600  0.80019200  1.0
  S  S11  1  0.01694600  0.21675400  0.50000000  1.0
  S  S12  1  0.71675400  0.51694600  0.50000000  1.0
  S  S13  1  0.98305400  0.78324600  0.50000000  1.0
  S  S14  1  0.28324600  0.48305400  0.50000000  1.0
  S  S15  1  0.78324600  0.28324600  0.80019200  1.0
  S  S16  1  0.50000000  0.50000000  0.00000000  1.0
  S  S17  1  0.00000000  0.00000000  0.00000000  1.0