data_[Tb6Y2Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.1628]
_cell_length_b [9.1628]
_cell_length_c [5.4115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Tb3YSn3]
_chemical_formula_sum '[Tb6 Y2 Sn6]'
_cell_volume [393.4629]
_cell_formula_units_Z [2]
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  6  0.0040  0.7640  0.7500  1
  Y  Y1  2  0.3333  0.6667  0.7500  1
  Sn  Sn2  6  0.0759  0.6214  0.2500  1
]