data_[Nd2Sm4Ag6Se12]
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 [C2/m]
_cell_length_a [16.2781]
_cell_length_b [4.3167]
_cell_length_c [9.8936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdSm2(AgSe2)3]
_chemical_formula_sum '[Nd2 Sm4 Ag6 Se12]'
_cell_volume [674.0245]
_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
  Sm  Sm1  4  0.1611  0.0000  0.3388  1.0
  Ag  Ag2  4  0.1721  0.0000  0.9613  1.0
  Ag  Ag3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0161  0.0000  0.7981  1.0
  Se  Se5  4  0.1578  0.5000  0.5339  1.0
  Se  Se6  4  0.1872  0.5000  0.1425  1.0
]