data_[Nd8Te2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.1325]
_cell_length_b [4.1325]
_cell_length_c [27.9134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Nd4TeS3]
_chemical_formula_sum '[Nd8 Te2 S6]'
_cell_volume [412.8373]
_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
[
  Nd  Nd0  4  0.0000  0.0000  0.1728  1
  Nd  Nd1  4  0.3333  0.6667  0.4389  1
  Te  Te2  2  0.3333  0.6667  0.2500  1
  S  S3  4  0.3333  0.6667  0.8831  1
  S  S4  2  0.0000  0.0000  0.0000  1
]