data_[Tb8Y12]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.9355]
_cell_length_b [6.3098]
_cell_length_c [9.2538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb2Y3]
_chemical_formula_sum '[Tb8 Y12]'
_cell_volume [654.5951]
_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  0.0999  0.3324  0.9499  1.0
  Y  Y1  8  0.2001  0.1664  0.6504  1.0
  Y  Y2  4  0.0000  0.1687  0.2500  1.0
]