data_[Nd8Sm4Ag4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1784]
_cell_length_b [17.6384]
_cell_length_c [12.5930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2SmAgSe5]
_chemical_formula_sum '[Nd8 Sm4 Ag4 Se20]'
_cell_volume [928.1057]
_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  0.3760  0.8054  1.0
  Nd  Nd1  4  0.0000  0.3898  0.1852  1.0
  Sm  Sm2  4  0.0000  0.3043  0.5077  1.0
  Ag  Ag3  4  0.0000  0.0556  0.9605  1.0
  Se  Se4  4  0.0000  0.0021  0.2730  1.0
  Se  Se5  4  0.0000  0.1386  0.5000  1.0
  Se  Se6  4  0.0000  0.1920  0.8415  1.0
  Se  Se7  4  0.0000  0.2127  0.1705  1.0
  Se  Se8  4  0.0000  0.4558  0.5800  1.0
]