data_[Tb4Ag4Se8]
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 [I4_1md]
_cell_length_a [5.7048]
_cell_length_b [5.7048]
_cell_length_c [12.5722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [TbAgSe2]
_chemical_formula_sum '[Tb4 Ag4 Se8]'
_cell_volume [409.1545]
_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
[
  Tb  Tb0  4  0.0000  0.0000  0.5005  1.0
  Ag  Ag1  4  0.0000  0.0000  0.0427  1.0
  Se  Se2  4  0.0000  0.0000  0.2674  1.0
  Se  Se3  4  0.0000  0.0000  0.7294  1.0
]