data_[Nd8Y4Ag4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9916]
_cell_length_b [16.6344]
_cell_length_c [12.1120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2YAgS5]
_chemical_formula_sum '[Nd8 Y4 Ag4 S20]'
_cell_volume [804.2132]
_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  0.1111  0.6849  1.0
  Nd  Nd1  4  0.0000  0.1257  0.3030  1.0
  Y  Y2  4  0.0000  0.1945  0.0047  1.0
  Ag  Ag3  4  0.0000  0.4662  0.4680  1.0
  S  S4  4  0.0000  0.0469  0.0833  1.0
  S  S5  4  0.0000  0.2877  0.6626  1.0
  S  S6  4  0.0000  0.3057  0.3447  1.0
  S  S7  4  0.0000  0.3582  0.9994  1.0
  S  S8  4  0.0000  0.4991  0.7735  1.0
]