data_[Tb28Si4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0599]
_cell_length_b [13.3287]
_cell_length_c [24.1156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb7SiSe5]
_chemical_formula_sum '[Tb28 Si4 Se20]'
_cell_volume [1304.9845]
_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  8  0.0000  0.1390  0.0379  1
  Tb  Tb1  8  0.0000  0.3036  0.6816  1
  Tb  Tb2  8  0.0000  0.4065  0.1197  1
  Tb  Tb3  4  0.0000  0.0370  0.7500  1
  Si  Si4  4  0.0000  0.3095  0.2500  1
  Se  Se5  8  0.0000  0.0528  0.1446  1
  Se  Se6  8  0.0000  0.2227  0.5723  1
  Se  Se7  4  0.0000  0.5000  0.0000  1
]