data_[Tb8P12Pt36]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.6102]
_cell_length_b [7.9329]
_cell_length_c [9.7243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8682]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb2(PPt3)3]
_chemical_formula_sum '[Tb8 P12 Pt36]'
_cell_volume [928.1590]
_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  0.1722  0.4181  0.2511  1
  P  P1  8  0.0947  0.2808  0.4955  1
  P  P2  4  0.2500  0.2500  0.0000  1
  Pt  Pt3  8  0.0609  0.4345  0.9199  1
  Pt  Pt4  8  0.1015  0.1843  0.7279  1
  Pt  Pt5  8  0.1169  0.1048  0.0638  1
  Pt  Pt6  8  0.2242  0.0914  0.4142  1
  Pt  Pt7  4  0.0000  0.1429  0.2500  1
]