data_[Tb4Ni4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pnma]
_cell_length_a [5.6136]
_cell_length_b [7.5131]
_cell_length_c [5.2387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TbNiO3]
_chemical_formula_sum '[Tb4 Ni4 O12]'
_cell_volume [220.9436]
_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
[
  Tb  Tb0  4  0.0760  0.7500  0.9799  1.0
  Ni  Ni1  4  0.0000  0.0000  0.5000  1.0
  O  O2  8  0.1938  0.0511  0.1972  1.0
  O  O3  4  0.0288  0.2500  0.6017  1.0
]