# generated using pymatgen
data_Ba12MnRu5(ClO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91720042
_cell_length_b   5.91720042
_cell_length_c   30.10253700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000465
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba12MnRu5(ClO6)4
_chemical_formula_sum   'Ba12 Mn1 Ru5 Cl4 O24'
_cell_volume   912.78032118
_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
  Ba  Ba0  1  0.33333300  0.66666700  0.89316200  1.0
  Ba  Ba1  1  0.33333300  0.66666700  0.39506700  1.0
  Ba  Ba2  1  0.66666700  0.33333300  0.60493300  1.0
  Ba  Ba3  1  0.66666700  0.33333300  0.10683800  1.0
  Ba  Ba4  1  0.33333300  0.66666700  0.68204200  1.0
  Ba  Ba5  1  0.33333300  0.66666700  0.18168200  1.0
  Ba  Ba6  1  0.66666700  0.33333300  0.81831800  1.0
  Ba  Ba7  1  0.66666700  0.33333300  0.31795800  1.0
  Ba  Ba8  1  0.33333300  0.66666700  0.53835600  1.0
  Ba  Ba9  1  0.33333300  0.66666700  0.03963200  1.0
  Ba  Ba10  1  0.66666700  0.33333300  0.96036800  1.0
  Ba  Ba11  1  0.66666700  0.33333300  0.46164400  1.0
  Mn  Mn12  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru13  1  0.00000000  0.00000000  0.91237200  1.0
  Ru  Ru14  1  0.00000000  0.00000000  0.41066400  1.0
  Ru  Ru15  1  0.00000000  0.00000000  0.58933600  1.0
  Ru  Ru16  1  0.00000000  0.00000000  0.08762800  1.0
  Ru  Ru17  1  0.00000000  0.00000000  0.00000000  1.0
  Cl  Cl18  1  0.33333300  0.66666700  0.78902000  1.0
  Cl  Cl19  1  0.33333300  0.66666700  0.28939300  1.0
  Cl  Cl20  1  0.66666700  0.33333300  0.71060700  1.0
  Cl  Cl21  1  0.66666700  0.33333300  0.21098000  1.0
  O  O22  1  0.31779100  0.15889600  0.87959200  1.0
  O  O23  1  0.32131300  0.16065700  0.37950800  1.0
  O  O24  1  0.84110400  0.68220900  0.87959200  1.0
  O  O25  1  0.83934300  0.67868700  0.37950800  1.0
  O  O26  1  0.84110400  0.15889600  0.87959200  1.0
  O  O27  1  0.83934300  0.16065700  0.37950800  1.0
  O  O28  1  0.67868700  0.83934300  0.62049200  1.0
  O  O29  1  0.68220900  0.84110400  0.12040800  1.0
  O  O30  1  0.16065700  0.32131300  0.62049200  1.0
  O  O31  1  0.15889600  0.31779100  0.12040800  1.0
  O  O32  1  0.16065700  0.83934300  0.62049200  1.0
  O  O33  1  0.15889600  0.84110400  0.12040800  1.0
  O  O34  1  0.29732600  0.14866300  0.54048500  1.0
  O  O35  1  0.30939600  0.15469800  0.04135600  1.0
  O  O36  1  0.85133700  0.70267400  0.54048500  1.0
  O  O37  1  0.84530200  0.69060400  0.04135600  1.0
  O  O38  1  0.85133700  0.14866300  0.54048500  1.0
  O  O39  1  0.84530200  0.15469800  0.04135600  1.0
  O  O40  1  0.69060400  0.84530200  0.95864400  1.0
  O  O41  1  0.70267400  0.85133700  0.45951500  1.0
  O  O42  1  0.15469800  0.30939600  0.95864400  1.0
  O  O43  1  0.14866300  0.29732600  0.45951500  1.0
  O  O44  1  0.15469800  0.84530200  0.95864400  1.0
  O  O45  1  0.14866300  0.85133700  0.45951500  1.0