data_[Nd8Ag4Ge4S20]
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 [Cmc2_1]
_cell_length_a [4.0975]
_cell_length_b [17.2048]
_cell_length_c [11.1775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2AgGeS5]
_chemical_formula_sum '[Nd8 Ag4 Ge4 S20]'
_cell_volume [787.9707]
_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  0.1193  0.6814  1
  Nd  Nd1  4  0.0000  0.1281  0.2992  1
  Ag  Ag2  4  0.0000  0.2260  0.0274  1
  Ge  Ge3  4  0.0000  0.4331  0.4604  1
  S  S4  4  0.0000  0.0433  0.0573  1
  S  S5  4  0.0000  0.2915  0.6773  1
  S  S6  4  0.0000  0.3179  0.3502  1
  S  S7  4  0.0000  0.3703  0.9955  1
  S  S8  4  0.0000  0.4976  0.2753  1
]