# generated using pymatgen
data_Ba6Ca6Cu9Hg3O25
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.66266312
_cell_length_b   8.66266312
_cell_length_c   17.09006035
_cell_angle_alpha   72.31183092
_cell_angle_beta   72.31183092
_cell_angle_gamma   37.01856189
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6Ca6Cu9Hg3O25
_chemical_formula_sum   'Ba6 Ca6 Cu9 Hg3 O25'
_cell_volume   731.43197465
_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  0.77502200  0.77502200  0.67538500  1.0
  Ba  Ba1  1  0.10803300  0.10803300  0.67536600  1.0
  Ba  Ba2  1  0.44490900  0.44490900  0.66534700  1.0
  Ba  Ba3  1  0.89196700  0.89196700  0.32463400  1.0
  Ba  Ba4  1  0.22497800  0.22497800  0.32461500  1.0
  Ba  Ba5  1  0.55509100  0.55509100  0.33465300  1.0
  Ca  Ca6  1  0.70038300  0.70038300  0.89837900  1.0
  Ca  Ca7  1  0.03411300  0.03411300  0.89811700  1.0
  Ca  Ca8  1  0.36790200  0.36790200  0.89633400  1.0
  Ca  Ca9  1  0.96588700  0.96588700  0.10188300  1.0
  Ca  Ca10  1  0.29961700  0.29961700  0.10162100  1.0
  Ca  Ca11  1  0.63209800  0.63209800  0.10366600  1.0
  Cu  Cu12  1  0.89978300  0.89978300  0.80052500  1.0
  Cu  Cu13  1  0.23351700  0.23351700  0.80119700  1.0
  Cu  Cu14  1  0.56561600  0.56561600  0.80120000  1.0
  Cu  Cu15  1  0.10021700  0.10021700  0.19947500  1.0
  Cu  Cu16  1  0.43438400  0.43438400  0.19880000  1.0
  Cu  Cu17  1  0.76648300  0.76648300  0.19880300  1.0
  Cu  Cu18  1  0.16685800  0.16685800  0.00004300  1.0
  Cu  Cu19  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu20  1  0.83314200  0.83314200  0.99995700  1.0
  Hg  Hg21  1  0.00000000  0.00000000  0.50000000  1.0
  Hg  Hg22  1  0.33884700  0.33884700  0.50000900  1.0
  Hg  Hg23  1  0.66115300  0.66115300  0.49999100  1.0
  O  O24  1  0.56639600  0.06300100  0.80385100  1.0
  O  O25  1  0.89919000  0.39890600  0.80306800  1.0
  O  O26  1  0.23063600  0.73462900  0.80390400  1.0
  O  O27  1  0.06300100  0.56639600  0.80385100  1.0
  O  O28  1  0.39890600  0.89919000  0.80306800  1.0
  O  O29  1  0.73462900  0.23063600  0.80390400  1.0
  O  O30  1  0.76936400  0.26537100  0.19609600  1.0
  O  O31  1  0.10081000  0.60109400  0.19693200  1.0
  O  O32  1  0.43360400  0.93699900  0.19614900  1.0
  O  O33  1  0.26537100  0.76936400  0.19609600  1.0
  O  O34  1  0.60109400  0.10081000  0.19693200  1.0
  O  O35  1  0.93699900  0.43360400  0.19614900  1.0
  O  O36  1  0.95751900  0.95751900  0.62747700  1.0
  O  O37  1  0.28745900  0.28745900  0.62673200  1.0
  O  O38  1  0.62807700  0.62807700  0.62671800  1.0
  O  O39  1  0.04248100  0.04248100  0.37252300  1.0
  O  O40  1  0.37192300  0.37192300  0.37328200  1.0
  O  O41  1  0.71254100  0.71254100  0.37326800  1.0
  O  O42  1  0.83357200  0.33297300  0.99994600  1.0
  O  O43  1  0.16642800  0.66702700  0.00005400  1.0
  O  O44  1  0.50000000  0.00000000  0.00000000  1.0
  O  O45  1  0.33297300  0.83357200  0.99994600  1.0
  O  O46  1  0.66702700  0.16642800  0.00005400  1.0
  O  O47  1  0.00000000  0.50000000  0.00000000  1.0
  O  O48  1  0.50000000  0.50000000  0.50000000  1.0