data_[Sr4Mg2Ti4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0207]
_cell_length_b [8.0081]
_cell_length_c [5.9497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.0842]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2MgTi2O6]
_chemical_formula_sum '[Sr4 Mg2 Ti4 O12]'
_cell_volume [288.0497]
_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
[
  Sr  Sr0  4  0.1681  0.5000  0.3711  1
  Mg  Mg1  2  0.0000  0.0000  0.0000  1
  Ti  Ti2  4  0.2500  0.2500  0.0000  1
  O  O3  4  0.0000  0.2472  0.0000  1
  O  O4  4  0.0000  0.2710  0.5000  1
  O  O5  4  0.2347  0.0000  0.9755  1
]