data_[Tb9Pa15P24]
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-3m]
_cell_length_a [7.9621]
_cell_length_b [7.9621]
_cell_length_c [19.5309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb3Pa5P8]
_chemical_formula_sum '[Tb9 Pa15 P24]'
_cell_volume [1072.2655]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1
  Pa  Pa1  9  0.0000  0.5000  0.0000  1
  Pa  Pa2  3  -0.0000  -0.0000  0.5000  1
  Pa  Pa3  3  0.0000  0.0000  0.0000  1
  P  P4  18  0.0013  0.5006  0.2506  1
  P  P5  6  0.0000  0.0000  0.2520  1
]