data_[Sr2Mg1Ti6N2O11]
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
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.9595]
_cell_length_b [7.8422]
_cell_length_c [9.1751]
_cell_angle_alpha [93.3075]
_cell_angle_beta [90.2989]
_cell_angle_gamma [103.3535]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sr2MgTi6N2O11]
_chemical_formula_sum '[Sr2 Mg1 Ti6 N2 O11]'
_cell_volume [276.6828]
_cell_formula_units_Z [1]
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  1  0.3912  0.8147  0.1643  1
  Sr  Sr1  1  0.5283  0.0974  0.7870  1
  Mg  Mg2  1  0.5954  0.1484  0.3618  1
  Ti  Ti3  1  0.1246  0.2359  0.1097  1
  Ti  Ti4  1  0.2057  0.3946  0.4463  1
  Ti  Ti5  1  0.2473  0.4872  0.7725  1
  Ti  Ti6  1  0.7475  0.4969  0.2182  1
  Ti  Ti7  1  0.8418  0.6927  0.5525  1
  Ti  Ti8  1  0.8743  0.7596  0.8946  1
  N  N9  1  0.2323  0.4628  0.2401  1
  N  N10  1  0.8144  0.6366  0.0600  1
  O  O11  1  0.0870  0.1317  0.3400  1
  O  O12  1  0.1595  0.2862  0.6419  1
  O  O13  1  0.1797  0.3372  0.9272  1
  O  O14  1  0.3110  0.6262  0.5645  1
  O  O15  1  0.3736  0.7559  0.8663  1
  O  O16  1  0.6204  0.2228  0.1477  1
  O  O17  1  0.7051  0.3942  0.4450  1
  O  O18  1  0.7740  0.5424  0.7472  1
  O  O19  1  0.8540  0.7319  0.3554  1
  O  O20  1  0.9325  0.8922  0.6667  1
  O  O21  1  0.9999  0.9926  0.9959  1
]