data_[Sr4Mg8Ti8O28]
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 [Pmn2_1]
_cell_length_a [18.0418]
_cell_length_b [5.4490]
_cell_length_c [5.4437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [SrMg2Ti2O7]
_chemical_formula_sum '[Sr4 Mg8 Ti8 O28]'
_cell_volume [535.1674]
_cell_formula_units_Z [4]
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  0.0234  0.4794  1
  Sr  Sr1  2  0.0000  0.5025  0.0000  1
  Mg  Mg2  4  0.1934  0.0644  0.4374  1
  Mg  Mg3  4  0.1937  0.4407  0.0586  1
  Ti  Ti4  4  0.1123  0.5125  0.5134  1
  Ti  Ti5  4  0.1125  0.9895  0.9906  1
  O  O6  4  0.0952  0.2817  0.2179  1
  O  O7  4  0.1140  0.7986  0.3231  1
  O  O8  4  0.1146  0.1785  0.7036  1
  O  O9  4  0.1273  0.6669  0.8346  1
  O  O10  4  0.2128  0.4372  0.4340  1
  O  O11  4  0.2142  0.0663  0.0658  1
  O  O12  2  0.0000  0.5195  0.5422  1
  O  O13  2  0.0000  0.9587  0.9797  1
]