# generated using pymatgen
data_Ba12SrCa3(Ru2O9)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98763164
_cell_length_b   5.98763164
_cell_length_c   30.20472800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999598
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba12SrCa3(Ru2O9)4
_chemical_formula_sum   'Ba12 Sr1 Ca3 Ru8 O36'
_cell_volume   937.81187383
_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  0.94353100  1.0
  Ba  Ba1  1  0.33333300  0.66666700  0.44998100  1.0
  Ba  Ba2  1  0.66666700  0.33333300  0.20167400  1.0
  Ba  Ba3  1  0.66666700  0.33333300  0.69950600  1.0
  Ba  Ba4  1  0.66666700  0.33333300  0.05646900  1.0
  Ba  Ba5  1  0.66666700  0.33333300  0.55001900  1.0
  Ba  Ba6  1  0.33333300  0.66666700  0.79832600  1.0
  Ba  Ba7  1  0.33333300  0.66666700  0.30049400  1.0
  Ba  Ba8  1  0.00000000  0.00000000  0.87232100  1.0
  Ba  Ba9  1  0.00000000  0.00000000  0.37538300  1.0
  Ba  Ba10  1  0.00000000  0.00000000  0.12767900  1.0
  Ba  Ba11  1  0.00000000  0.00000000  0.62461700  1.0
  Sr  Sr12  1  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca13  1  0.00000000  0.00000000  0.50000000  1.0
  Ca  Ca14  1  0.00000000  0.00000000  0.25129600  1.0
  Ca  Ca15  1  0.00000000  0.00000000  0.74870400  1.0
  Ru  Ru16  1  0.33333300  0.66666700  0.08188000  1.0
  Ru  Ru17  1  0.33333300  0.66666700  0.57856700  1.0
  Ru  Ru18  1  0.66666700  0.33333300  0.82650200  1.0
  Ru  Ru19  1  0.66666700  0.33333300  0.32929700  1.0
  Ru  Ru20  1  0.66666700  0.33333300  0.91812000  1.0
  Ru  Ru21  1  0.66666700  0.33333300  0.42143300  1.0
  Ru  Ru22  1  0.33333300  0.66666700  0.17349800  1.0
  Ru  Ru23  1  0.33333300  0.66666700  0.67070300  1.0
  O  O24  1  0.02978900  0.51489400  0.12790000  1.0
  O  O25  1  0.03226200  0.51613100  0.62464000  1.0
  O  O26  1  0.48510600  0.97021100  0.12790000  1.0
  O  O27  1  0.48386900  0.96773800  0.62464000  1.0
  O  O28  1  0.48510600  0.51489400  0.12790000  1.0
  O  O29  1  0.48386900  0.51613100  0.62464000  1.0
  O  O30  1  0.97021100  0.48510600  0.87210000  1.0
  O  O31  1  0.96773800  0.48386900  0.37536000  1.0
  O  O32  1  0.51489400  0.02978900  0.87210000  1.0
  O  O33  1  0.51613100  0.03226200  0.37536000  1.0
  O  O34  1  0.51489400  0.48510600  0.87210000  1.0
  O  O35  1  0.51613100  0.48386900  0.37536000  1.0
  O  O36  1  0.35442900  0.17721400  0.95044400  1.0
  O  O37  1  0.35189700  0.17594800  0.45456000  1.0
  O  O38  1  0.82278600  0.64557100  0.95044400  1.0
  O  O39  1  0.82405200  0.64810300  0.45456000  1.0
  O  O40  1  0.82278600  0.17721400  0.95044400  1.0
  O  O41  1  0.82405200  0.17594800  0.45456000  1.0
  O  O42  1  0.64810800  0.82405400  0.20638500  1.0
  O  O43  1  0.64755100  0.82377500  0.70381400  1.0
  O  O44  1  0.17594600  0.35189200  0.20638500  1.0
  O  O45  1  0.17622500  0.35244900  0.70381400  1.0
  O  O46  1  0.17594600  0.82405400  0.20638500  1.0
  O  O47  1  0.17622500  0.82377500  0.70381400  1.0
  O  O48  1  0.64557100  0.82278600  0.04955600  1.0
  O  O49  1  0.64810300  0.82405200  0.54544000  1.0
  O  O50  1  0.17721400  0.35442900  0.04955600  1.0
  O  O51  1  0.17594800  0.35189700  0.54544000  1.0
  O  O52  1  0.17721400  0.82278600  0.04955600  1.0
  O  O53  1  0.17594800  0.82405200  0.54544000  1.0
  O  O54  1  0.35189200  0.17594600  0.79361500  1.0
  O  O55  1  0.35244900  0.17622500  0.29618600  1.0
  O  O56  1  0.82405400  0.64810800  0.79361500  1.0
  O  O57  1  0.82377500  0.64755100  0.29618600  1.0
  O  O58  1  0.82405400  0.17594600  0.79361500  1.0
  O  O59  1  0.82377500  0.17622500  0.29618600  1.0