# generated using pymatgen
data_Nd5Te4S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69638315
_cell_length_b   7.69638226
_cell_length_c   10.89856475
_cell_angle_alpha   61.42140934
_cell_angle_beta   61.42141246
_cell_angle_gamma   33.02549303
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd5Te4S
_chemical_formula_sum   'Nd5 Te4 S1'
_cell_volume   304.91954108
_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
  Nd  Nd0  1  0.00000000  0.00000000  0.50000000  1.0
  Nd  Nd1  1  0.57978696  0.57978696  0.08893126  1.0
  Nd  Nd2  1  0.18156574  0.18156574  0.73247002  1.0
  Nd  Nd3  1  0.81843426  0.81843426  0.26752998  1.0
  Nd  Nd4  1  0.42021304  0.42021304  0.91106874  1.0
  Te  Te5  1  0.60909020  0.60909020  0.59032634  1.0
  Te  Te6  1  0.19531290  0.19531290  0.18954913  1.0
  Te  Te7  1  0.80468710  0.80468710  0.81045087  1.0
  Te  Te8  1  0.39090980  0.39090980  0.40967366  1.0
  S  S9  1  0.00000000  0.00000000  0.00000000  1.0