data_[Li4Tb4Ni4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5826]
_cell_length_b [10.0678]
_cell_length_c [8.8135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiTbNiO3]
_chemical_formula_sum '[Li4 Tb4 Ni4 O12]'
_cell_volume [317.8955]
_cell_formula_units_Z [4]
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  0.0000  0.2984  0.2249  1
  Tb  Tb1  4  0.0000  0.0260  0.0195  1
  Ni  Ni2  4  0.0000  0.4044  0.8241  1
  O  O3  4  0.0000  0.1120  0.2508  1
  O  O4  4  0.0000  0.3764  0.0417  1
  O  O5  4  0.0000  0.4040  0.3893  1
]