data_[Tb4P2Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3488]
_cell_length_b [17.3360]
_cell_length_c [5.2458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Tb2PPd8]
_chemical_formula_sum '[Tb4 P2 Pd16]'
_cell_volume [395.4822]
_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  4  0.5000  0.1211  0.4902  1
  P  P1  2  0.0000  0.0000  0.2461  1
  Pd  Pd2  4  0.0000  0.1133  0.0303  1
  Pd  Pd3  4  0.0000  0.2287  0.6778  1
  Pd  Pd4  4  0.5000  0.2038  0.9837  1
  Pd  Pd5  2  0.0000  0.0000  0.6705  1
  Pd  Pd6  2  0.5000  0.0000  0.0331  1
]