data_[Tb6P6]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [20.0255]
_cell_length_b [4.0450]
_cell_length_c [20.0255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbP]
_chemical_formula_sum '[Tb6 P6]'
_cell_volume [1404.7968]
_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  2  0.0049  0.7500  0.5822  1
  Tb  Tb1  2  0.1910  0.2500  0.6175  1
  Tb  Tb2  2  0.1926  0.7500  0.7737  1
  P  P3  2  0.0919  0.7500  0.5097  1
  P  P4  2  0.0976  0.2500  0.6937  1
  P  P5  2  0.2767  0.7500  0.7130  1
]