data_[Li6Tb6Ni6]
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 [P2_1/m]
_cell_length_a [7.1273]
_cell_length_b [3.7952]
_cell_length_c [12.3872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9747]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTbNi]
_chemical_formula_sum '[Li6 Tb6 Ni6]'
_cell_volume [335.0162]
_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  2  0.0134  0.2500  0.0787  1.0
  Li  Li1  2  0.1266  0.7500  0.5361  1.0
  Li  Li2  2  0.3722  0.2500  0.1975  1.0
  Tb  Tb3  2  0.0546  0.7500  0.2843  1.0
  Tb  Tb4  2  0.3419  0.2500  0.9150  1.0
  Tb  Tb5  2  0.4519  0.2500  0.6229  1.0
  Ni  Ni6  2  0.2408  0.7500  0.7512  1.0
  Ni  Ni7  2  0.2578  0.2500  0.4124  1.0
  Ni  Ni8  2  0.2583  0.7500  0.0753  1.0
]