data_[Sr6Mn2Ru2O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.9519]
_cell_length_b [3.9519]
_cell_length_c [20.4653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Sr3MnRuO7]
_chemical_formula_sum '[Sr6 Mn2 Ru2 O14]'
_cell_volume [319.6099]
_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  0.3190  1.0
  Sr  Sr1  2  0.0000  0.0000  0.4932  1.0
  Sr  Sr2  2  0.0000  0.0000  0.6862  1.0
  Mn  Mn3  2  0.0000  0.0000  0.9000  1.0
  Ru  Ru4  2  0.0000  0.0000  0.0968  1.0
  O  O5  4  0.0000  0.5000  0.0976  1.0
  O  O6  4  0.0000  0.5000  0.4042  1.0
  O  O7  2  0.0000  0.0000  0.1954  1.0
  O  O8  2  0.0000  0.0000  0.8060  1.0
  O  O9  2  0.0000  0.0000  0.9998  1.0
]