data_[Tb1P3Pb3]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2514]
_cell_length_b [6.7086]
_cell_length_c [18.4875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [98.9804]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tb(PPb)3]
_chemical_formula_sum '[Tb1 P3 Pb3]'
_cell_volume [643.3186]
_cell_formula_units_Z [1]
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  1  0.3628  0.7185  0.5385  1
  P  P1  1  0.2532  0.4043  0.4324  1
  P  P2  1  0.8660  0.8076  0.4728  1
  P  P3  1  0.8948  0.8490  0.5900  1
  Pb  Pb4  1  0.2744  0.2017  0.5748  1
  Pb  Pb5  1  0.3347  0.0288  0.4015  1
  Pb  Pb6  1  0.7883  0.3928  0.4900  1
]