data_[Nd2Y4Ag6S12]
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 [C2/m]
_cell_length_a [15.5893]
_cell_length_b [4.1112]
_cell_length_c [9.5907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdY2(AgS2)3]
_chemical_formula_sum '[Nd2 Y4 Ag6 S12]'
_cell_volume [592.5108]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1.0
  Y  Y1  4  0.1663  0.0000  0.3366  1.0
  Ag  Ag2  4  0.1723  0.0000  0.9414  1.0
  Ag  Ag3  2  0.0000  0.5000  0.5000  1.0
  S  S4  4  0.0109  0.0000  0.8000  1.0
  S  S5  4  0.1571  0.5000  0.5197  1.0
  S  S6  4  0.1868  0.5000  0.1454  1.0
]