data_[Tb4Sm12Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3889]
_cell_length_b [10.6093]
_cell_length_c [7.2016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb(SmPd)3]
_chemical_formula_sum '[Tb4 Sm12 Pd12]'
_cell_volume [716.9578]
_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  0.2422  0.5000  0.8757  1
  Sm  Sm1  4  0.0000  0.1765  0.5000  1
  Sm  Sm2  4  0.0000  0.2524  0.0000  1
  Sm  Sm3  4  0.1538  0.5000  0.3690  1
  Pd  Pd4  8  0.2405  0.2586  0.7197  1
  Pd  Pd5  4  0.0625  0.0000  0.8107  1
]