data_[Nd8Ag4Sn4Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1017]
_cell_length_b [17.7033]
_cell_length_c [12.6850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2AgSnSe5]
_chemical_formula_sum '[Nd8 Ag4 Sn4 Se20]'
_cell_volume [921.1013]
_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  0.1163  0.6829  1.0
  Nd  Nd1  4  0.0000  0.1233  0.3037  1.0
  Ag  Ag2  4  0.0000  0.4908  0.4800  1.0
  Sn  Sn3  4  0.0000  0.1900  0.9993  1.0
  Se  Se4  4  0.0000  0.0445  0.0879  1.0
  Se  Se5  4  0.0000  0.2887  0.6623  1.0
  Se  Se6  4  0.0000  0.2993  0.3306  1.0
  Se  Se7  4  0.0000  0.3522  0.9966  1.0
  Se  Se8  4  0.0000  0.4957  0.2808  1.0
]