data_[Tb12Cd4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.1147]
_cell_length_b [3.9980]
_cell_length_c [15.3887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tb3CdSe]
_chemical_formula_sum '[Tb12 Cd4 Se4]'
_cell_volume [560.7728]
_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  0.0270  0.7500  0.3880  1
  Tb  Tb1  4  0.1580  0.7500  0.9673  1
  Tb  Tb2  4  0.1862  0.2500  0.2151  1
  Cd  Cd3  4  0.0883  0.2500  0.8138  1
  Se  Se4  4  0.1739  0.7500  0.5521  1
]