data_[Tb12Sb4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.1275]
_cell_length_b [14.0245]
_cell_length_c [7.0969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3SbSe6]
_chemical_formula_sum '[Tb12 Sb4 Se24]'
_cell_volume [1107.5232]
_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  0.1837  0.4004  0.4840  1.0
  Tb  Tb1  4  0.0000  0.0938  0.3813  1.0
  Sb  Sb2  4  0.0000  0.3213  0.0009  1.0
  Se  Se3  8  0.1656  0.0331  0.6788  1.0
  Se  Se4  8  0.1694  0.2329  0.2030  1.0
  Se  Se5  4  0.0000  0.2675  0.6223  1.0
  Se  Se6  4  0.0000  0.4921  0.2491  1.0
]