data_[Sr2Mg4Ti4O14]
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 [Imm2]
_cell_length_a [3.9882]
_cell_length_b [16.6449]
_cell_length_c [4.1644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [SrMg2Ti2O7]
_chemical_formula_sum '[Sr2 Mg4 Ti4 O14]'
_cell_volume [276.4471]
_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  2  0.0000  0.0000  0.9552  1.0
  Mg  Mg1  4  0.0000  0.2509  0.5052  1.0
  Ti  Ti2  4  0.0000  0.3864  0.9594  1.0
  O  O3  4  0.0000  0.1176  0.5089  1.0
  O  O4  4  0.0000  0.2674  0.0097  1.0
  O  O5  4  0.0000  0.3841  0.5241  1.0
  O  O6  2  0.0000  0.5000  0.0304  1.0
]