data_[Nd4Ag8Ge4S16]
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
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [9.9494]
_cell_length_b [9.8643]
_cell_length_c [7.2059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [NdAg2GeS4]
_chemical_formula_sum '[Nd4 Ag8 Ge4 S16]'
_cell_volume [707.2169]
_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  4  0.0000  0.0000  0.0336  1
  Ag  Ag1  8  0.1055  0.1044  0.4973  1
  Ge  Ge2  4  0.2500  0.2784  0.0060  1
  S  S3  8  0.0547  0.2649  0.1930  1
  S  S4  4  0.2500  0.0712  0.8466  1
  S  S5  4  0.2500  0.4582  0.7782  1
]