# generated using pymatgen
data_NdSeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11109074
_cell_length_b   8.26487772
_cell_length_c   8.28166396
_cell_angle_alpha   89.85089995
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdSeS
_chemical_formula_sum   'Nd4 Se4 S4'
_cell_volume   281.39062786
_cell_formula_units_Z   4
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
  Nd  Nd0  1  0.28148314  0.62701737  0.71522162  1.0
  Nd  Nd1  1  0.78148314  0.87298263  0.28477838  1.0
  Nd  Nd2  1  0.71851686  0.37298263  0.28477838  1.0
  Nd  Nd3  1  0.21851686  0.12701737  0.71522162  1.0
  Se  Se4  1  0.31405157  0.88110594  0.00207745  1.0
  Se  Se5  1  0.81405157  0.61889406  0.99792255  1.0
  Se  Se6  1  0.68594843  0.11889406  0.99792255  1.0
  Se  Se7  1  0.18594843  0.38110594  0.00207745  1.0
  S  S8  1  0.25870450  0.62569658  0.36754681  1.0
  S  S9  1  0.75870450  0.87430342  0.63245319  1.0
  S  S10  1  0.74129550  0.37430342  0.63245319  1.0
  S  S11  1  0.24129550  0.12569658  0.36754681  1.0