data_[Tb2In2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3247]
_cell_length_b [5.4064]
_cell_length_c [7.3037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0666]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbInPd6]
_chemical_formula_sum '[Tb2 In2 Pd12]'
_cell_volume [312.5063]
_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  0.5000  1
  In  In1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  8  0.2008  0.2583  0.2979  1
  Pd  Pd3  4  0.1420  0.5000  0.9374  1
]