data_[Nd4Ag4Sn4S12]
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
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.6194]
_cell_length_b [4.2313]
_cell_length_c [11.5749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NdAgSnS3]
_chemical_formula_sum '[Nd4 Ag4 Sn4 S12]'
_cell_volume [569.0762]
_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  0.0174  0.2500  0.1762  1
  Ag  Ag1  4  0.2440  0.7500  0.3033  1
  Sn  Sn2  4  0.1624  0.2500  0.5231  1
  S  S3  4  0.0336  0.7500  0.3586  1
  S  S4  4  0.0903  0.2500  0.9369  1
  S  S5  4  0.2286  0.7500  0.6742  1
]