data_[Tb4Mg2Ni2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mg  1.3100  1.5000  0.8600
  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 [5.2236]
_cell_length_b [5.5707]
_cell_length_c [9.0993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tb2MgNiO6]
_chemical_formula_sum '[Tb4 Mg2 Ni2 O12]'
_cell_volume [217.2919]
_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  0.2706  0.0720  0.2507  1
  Mg  Mg1  2  0.0000  0.0000  0.5000  1
  Ni  Ni2  2  0.5000  0.0000  0.0000  1
  O  O3  4  0.1594  0.0272  0.7598  1
  O  O4  4  0.2549  0.6881  0.5492  1
  O  O5  4  0.3626  0.2019  0.5539  1
]