data_[Li18Tb6P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7933]
_cell_length_b [3.9124]
_cell_length_c [9.8265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0825]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3TbP2]
_chemical_formula_sum '[Li18 Tb6 P12]'
_cell_volume [595.8494]
_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
[
  Li  Li0  4  0.0503  0.0000  0.3397  1
  Li  Li1  4  0.1230  0.5000  0.2332  1
  Li  Li2  4  0.1825  0.5000  0.9912  1
  Li  Li3  4  0.2098  0.0000  0.4089  1
  Li  Li4  2  0.0000  0.5000  0.5000  1
  Tb  Tb5  4  0.1647  0.0000  0.7186  1
  Tb  Tb6  2  0.0000  0.0000  0.0000  1
  P  P7  4  0.0446  0.5000  0.8109  1
  P  P8  4  0.1425  0.5000  0.4958  1
  P  P9  4  0.1945  0.0000  0.1513  1
]