data_[La4Mg2Ti2Ni2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Ti  1.5400  1.4000  0.8517
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.5262]
_cell_length_b [5.5863]
_cell_length_c [10.1745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La2MgTiNiO6]
_chemical_formula_sum '[La4 Mg2 Ti2 Ni2 O12]'
_cell_volume [314.0974]
_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
[
  La  La0  4  0.0000  0.5000  0.1645  1
  Mg  Mg1  2  0.0000  0.5000  0.5000  1
  Ti  Ti2  2  0.0000  0.0000  0.5000  1
  Ni  Ni3  2  0.0000  0.0000  0.0000  1
  O  O4  8  0.2438  0.2598  0.0000  1
  O  O5  4  0.0000  0.0000  0.3012  1
]