data_[Tb10Ag2Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.7130]
_cell_length_b [8.7130]
_cell_length_c [8.7995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Tb5AgSe8]
_chemical_formula_sum '[Tb10 Ag2 Se16]'
_cell_volume [668.0274]
_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  8  0.1320  0.7526  0.8822  1.0
  Tb  Tb1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  2  0.0000  0.5000  0.2500  1.0
  Se  Se3  8  0.0683  0.8190  0.2005  1.0
  Se  Se4  8  0.0741  0.6846  0.5676  1.0
]