data_[Li3Tb9Ni24]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9953]
_cell_length_b [4.9953]
_cell_length_c [24.5199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiTb3Ni8]
_chemical_formula_sum '[Li3 Tb9 Ni24]'
_cell_volume [529.8743]
_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
[
  Li  Li0  3  0.0000  0.0000  0.8702  1.0
  Tb  Tb1  3  0.0000  0.0000  0.3778  1.0
  Tb  Tb2  3  0.0000  0.0000  0.5069  1.0
  Tb  Tb3  3  0.0000  0.0000  0.9913  1.0
  Ni  Ni4  9  0.0039  0.5019  0.9375  1.0
  Ni  Ni5  9  0.1669  0.3337  0.7718  1.0
  Ni  Ni6  3  0.0000  0.0000  0.1883  1.0
  Ni  Ni7  3  0.0000  0.0000  0.6878  1.0
]