data_[Nd10Ag2S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.5587]
_cell_length_b [8.5587]
_cell_length_c [8.6368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Nd5AgS8]
_chemical_formula_sum '[Nd10 Ag2 S16]'
_cell_volume [632.6543]
_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  8  0.1334  0.2516  0.3689  1.0
  Nd  Nd1  2  0.0000  0.5000  0.7500  1.0
  Ag  Ag2  2  0.0000  0.0000  0.0000  1.0
  S  S3  8  0.0702  0.3211  0.0474  1.0
  S  S4  8  0.0765  0.1829  0.6849  1.0
]