data_[Tb2Mn4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mn  1.5500  1.4000  0.6483
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2923]
_cell_length_b [4.0810]
_cell_length_c [6.3774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb(MnPd4)2]
_chemical_formula_sum '[Tb2 Mn4 Pd16]'
_cell_volume [356.6523]
_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  2  0.0000  0.5000  0.0000  1.0
  Mn  Mn1  4  0.2253  0.0000  0.6529  1.0
  Pd  Pd2  4  0.0459  0.0000  0.7204  1.0
  Pd  Pd3  4  0.0996  0.5000  0.4689  1.0
  Pd  Pd4  4  0.1461  0.0000  0.2051  1.0
  Pd  Pd5  4  0.1835  0.5000  0.9177  1.0
]