data_[Tb4Fe2Ni2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.2885]
_cell_length_b [5.6536]
_cell_length_c [9.2308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tb2FeNiO6]
_chemical_formula_sum '[Tb4 Fe2 Ni2 O12]'
_cell_volume [227.4035]
_cell_formula_units_Z [2]
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  0.2705  0.5733  0.7507  1.0
  Fe  Fe1  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1405  0.5338  0.2470  1.0
  O  O4  4  0.2480  0.1982  0.0564  1.0
  O  O5  4  0.3546  0.6905  0.0521  1.0
]