data_[Tb16Sb4Se8]
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 [Cmcm]
_cell_length_a [4.1217]
_cell_length_b [13.3613]
_cell_length_c [13.7540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb4SbSe2]
_chemical_formula_sum '[Tb16 Sb4 Se8]'
_cell_volume [757.4597]
_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  0.2266  0.6232  1.0
  Tb  Tb1  4  0.0000  0.0640  0.2500  1.0
  Tb  Tb2  4  0.0000  0.5000  0.0000  1.0
  Sb  Sb3  4  0.0000  0.3962  0.2500  1.0
  Se  Se4  8  0.0000  0.1376  0.0602  1.0
]