data_[Tb8Nd12Y4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3080]
_cell_length_b [3.5670]
_cell_length_c [17.8084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4648]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Nd3Y]
_chemical_formula_sum '[Tb8 Nd12 Y4]'
_cell_volume [825.4279]
_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  0.1325  0.5000  0.5009  1
  Tb  Tb1  4  0.1977  0.0000  0.8348  1
  Nd  Nd2  4  0.0670  0.0000  0.1666  1
  Nd  Nd3  4  0.1274  0.5000  0.9901  1
  Nd  Nd4  4  0.2318  0.5000  0.3365  1
  Y  Y5  4  0.0413  0.5000  0.6812  1
]