data_[Ba12Mn6Ru6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [C2/m]
_cell_length_a [10.0924]
_cell_length_b [5.8569]
_cell_length_c [14.3950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2MnRuO6]
_chemical_formula_sum '[Ba12 Mn6 Ru6 O36]'
_cell_volume [850.8730]
_cell_formula_units_Z [6]
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
[
  Ba  Ba0  4  0.0040  0.0000  0.7528  1
  Ba  Ba1  4  0.1633  0.5000  0.0923  1
  Ba  Ba2  4  0.1678  0.5000  0.4068  1
  Mn  Mn3  4  0.1714  0.5000  0.8474  1
  Mn  Mn4  2  0.0000  0.0000  0.5000  1
  Ru  Ru5  4  0.1677  0.5000  0.6584  1
  Ru  Ru6  2  0.0000  0.0000  0.0000  1
  O  O7  8  0.0766  0.2585  0.5910  1
  O  O8  8  0.0886  0.2415  0.9244  1
  O  O9  8  0.2472  0.2721  0.7468  1
  O  O10  4  0.0240  0.5000  0.7603  1
  O  O11  4  0.1565  0.0000  0.0869  1
  O  O12  4  0.1820  0.0000  0.4220  1
]