data_[Sr8La3Ru3O21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  La  1.1000  1.9500  1.1720
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8009]
_cell_length_b [6.9488]
_cell_length_c [14.8773]
_cell_angle_alpha [98.3390]
_cell_angle_beta [90.5478]
_cell_angle_gamma [114.3009]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sr8La3(RuO7)3]
_chemical_formula_sum '[Sr8 La3 Ru3 O21]'
_cell_volume [539.1865]
_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  0.1219  0.1994  0.7269  1
  Sr  Sr1  1  0.1699  0.3381  0.1996  1
  Sr  Sr2  1  0.2491  0.4656  0.9429  1
  Sr  Sr3  1  0.4843  0.9755  0.1236  1
  Sr  Sr4  1  0.5574  0.1020  0.5763  1
  Sr  Sr5  1  0.7922  0.5404  0.0677  1
  Sr  Sr6  1  0.8109  0.6454  0.7869  1
  Sr  Sr7  1  0.8414  0.6805  0.5473  1
  La  La8  1  0.1900  0.3626  0.4527  1
  La  La9  1  0.4976  0.0070  0.8701  1
  La  La10  1  0.9242  0.8327  0.3223  1
  Ru  Ru11  1  0.3211  0.6574  0.6632  1
  Ru  Ru12  1  0.6731  0.3228  0.3282  1
  Ru  Ru13  1  0.9897  0.9928  0.9961  1
  O  O14  1  0.0093  0.0003  0.4712  1
  O  O15  1  0.0108  0.9381  0.1206  1
  O  O16  1  0.0362  0.5278  0.3369  1
  O  O17  1  0.0863  0.7650  0.9409  1
  O  O18  1  0.2188  0.8896  0.7043  1
  O  O19  1  0.2413  0.6053  0.1078  1
  O  O20  1  0.2929  0.7101  0.5385  1
  O  O21  1  0.3063  0.1449  0.3164  1
  O  O22  1  0.3409  0.6151  0.7901  1
  O  O23  1  0.3506  0.1880  0.0122  1
  O  O24  1  0.4233  0.4210  0.6126  1
  O  O25  1  0.5410  0.3108  0.8325  1
  O  O26  1  0.5927  0.5667  0.3861  1
  O  O27  1  0.6403  0.7832  0.9776  1
  O  O28  1  0.6464  0.4101  0.2106  1
  O  O29  1  0.6818  0.8733  0.6767  1
  O  O30  1  0.7294  0.2913  0.4521  1
  O  O31  1  0.7548  0.0862  0.2775  1
  O  O32  1  0.8720  0.2098  0.0355  1
  O  O33  1  0.9531  0.0620  0.8698  1
  O  O34  1  0.9642  0.4398  0.6498  1
]