data_[Tb12Sb4Se4]
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 [Pnma]
_cell_length_a [8.5293]
_cell_length_b [4.1518]
_cell_length_c [15.4466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tb3SbSe]
_chemical_formula_sum '[Tb12 Sb4 Se4]'
_cell_volume [546.9972]
_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  0.0196  0.7500  0.3890  1
  Tb  Tb1  4  0.1562  0.7500  0.9578  1
  Tb  Tb2  4  0.1747  0.2500  0.2167  1
  Sb  Sb3  4  0.1047  0.2500  0.8071  1
  Se  Se4  4  0.1865  0.7500  0.5504  1
]