data_[Tb12Y4Pd12]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2278]
_cell_length_b [10.5052]
_cell_length_c [7.1168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3YPd3]
_chemical_formula_sum '[Tb12 Y4 Pd12]'
_cell_volume [689.4342]
_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  0.0000  0.1766  0.5000  1.0
  Tb  Tb1  4  0.0000  0.2503  0.0000  1.0
  Tb  Tb2  4  0.1529  0.5000  0.3677  1.0
  Y  Y3  4  0.2376  0.5000  0.8780  1.0
  Pd  Pd4  8  0.2415  0.2548  0.7217  1.0
  Pd  Pd5  4  0.0616  0.0000  0.8067  1.0
]