data_[Tb8As12Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.6135]
_cell_length_b [7.8616]
_cell_length_c [10.0262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3929]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb2(AsPd3)3]
_chemical_formula_sum '[Tb8 As12 Pd36]'
_cell_volume [961.1992]
_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  8  0.1720  0.4144  0.7495  1
  As  As1  8  0.0862  0.2639  0.0003  1
  As  As2  4  0.2500  0.2500  0.5000  1
  Pd  Pd3  8  0.0563  0.4311  0.4175  1
  Pd  Pd4  8  0.1038  0.0911  0.5482  1
  Pd  Pd5  8  0.1042  0.1808  0.2463  1
  Pd  Pd6  8  0.2288  0.0909  0.9224  1
  Pd  Pd7  4  0.0000  0.1346  0.7500  1
]