data_[Tb6Pa24P36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pa  1.5000  1.8000  1.0400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [10.9222]
_cell_length_b [10.9222]
_cell_length_c [13.5948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Tb(Pa2P3)2]
_chemical_formula_sum '[Tb6 Pa24 P36]'
_cell_volume [1404.4913]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.0000  1
  Pa  Pa1  18  0.0000  0.3857  0.2500  1
  Pa  Pa2  6  0.0000  0.0000  0.2500  1
  P  P3  36  0.0297  0.2110  0.3837  1
]