data_[Tb4Sc2Ni2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  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 [5.3113]
_cell_length_b [5.5502]
_cell_length_c [9.4689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5278]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tb2ScNiO6]
_chemical_formula_sum '[Tb4 Sc2 Ni2 O12]'
_cell_volume [237.9289]
_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  0.2792  0.5641  0.7561  1.0
  Sc  Sc1  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1275  0.5432  0.2462  1.0
  O  O4  4  0.2807  0.1944  0.0669  1.0
  O  O5  4  0.3701  0.7112  0.0590  1.0
]