data_[Ba2Mg2Ti2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [Cm]
_cell_length_a [8.4812]
_cell_length_b [6.2474]
_cell_length_c [4.7167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4081]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaMgTiO3]
_chemical_formula_sum '[Ba2 Mg2 Ti2 O6]'
_cell_volume [232.6728]
_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
[
  Ba  Ba0  2  0.0442  0.0000  0.9685  1
  Mg  Mg1  2  0.3471  0.0000  0.6768  1
  Ti  Ti2  2  0.0860  0.5000  0.4083  1
  O  O3  4  0.1883  0.2397  0.5168  1
  O  O4  2  0.3759  0.0000  0.1128  1
]