data_[Tb4Nd2Ag6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  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 [16.2200]
_cell_length_b [4.2587]
_cell_length_c [9.8788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Nd(AgSe2)3]
_chemical_formula_sum '[Tb4 Nd2 Ag6 Se12]'
_cell_volume [658.4885]
_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
[
  Tb  Tb0  4  0.1629  0.0000  0.3381  1.0
  Nd  Nd1  2  0.0000  0.5000  0.0000  1.0
  Ag  Ag2  4  0.1724  0.0000  0.9591  1.0
  Ag  Ag3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0140  0.0000  0.7957  1.0
  Se  Se5  4  0.1582  0.5000  0.5286  1.0
  Se  Se6  4  0.1886  0.5000  0.1460  1.0
]