data_[Nd8Ga4Ag4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  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 [3.8897]
_cell_length_b [17.7186]
_cell_length_c [11.3347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2GaAgS5]
_chemical_formula_sum '[Nd8 Ga4 Ag4 S20]'
_cell_volume [781.1875]
_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  0.1188  0.6817  1
  Nd  Nd1  4  0.0000  0.1261  0.2981  1
  Ga  Ga2  4  0.0000  0.4333  0.4533  1
  Ag  Ag3  4  0.0000  0.2278  0.0237  1
  S  S4  4  0.0000  0.0403  0.0615  1
  S  S5  4  0.0000  0.2901  0.6801  1
  S  S6  4  0.0000  0.3210  0.3545  1
  S  S7  4  0.0000  0.3687  0.9949  1
  S  S8  4  0.0000  0.4982  0.2761  1
]