data_[Nd4Sm8Ag4Te20]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3905]
_cell_length_b [18.9641]
_cell_length_c [13.3902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NdSm2AgTe5]
_chemical_formula_sum '[Nd4 Sm8 Ag4 Te20]'
_cell_volume [1114.8954]
_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  0.1929  0.0079  1.0
  Sm  Sm1  4  0.0000  0.1109  0.6848  1.0
  Sm  Sm2  4  0.0000  0.1246  0.3044  1.0
  Ag  Ag3  4  0.0000  0.4338  0.4610  1.0
  Te  Te4  4  0.0000  0.0401  0.0787  1.0
  Te  Te5  4  0.0000  0.2874  0.6742  1.0
  Te  Te6  4  0.0000  0.3103  0.3352  1.0
  Te  Te7  4  0.0000  0.3610  0.9987  1.0
  Te  Te8  4  0.0000  0.4983  0.7790  1.0
]