data_[Tb6Sn2Sb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.3929]
_cell_length_b [8.3929]
_cell_length_c [4.2890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Tb6Sn2Sb]
_chemical_formula_sum '[Tb6 Sn2 Sb1]'
_cell_volume [261.6382]
_cell_formula_units_Z [1]
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  3  0.0000  0.2666  0.0000  1
  Tb  Tb1  3  0.0000  0.5982  0.5000  1
  Sn  Sn2  2  0.3333  0.6667  0.0000  1
  Sb  Sb3  1  0.0000  0.0000  0.5000  1
]