# generated using pymatgen
data_Ba6Cu3Hg3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76340229
_cell_length_b   8.76340229
_cell_length_c   11.25204496
_cell_angle_alpha   62.06616965
_cell_angle_beta   62.06616965
_cell_angle_gamma   36.63489893
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6Cu3Hg3O13
_chemical_formula_sum   'Ba6 Cu3 Hg3 O13'
_cell_volume   448.48517602
_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  0.09328400  0.09328400  0.72015300  1.0
  Ba  Ba1  1  0.43101500  0.43101500  0.70619900  1.0
  Ba  Ba2  1  0.76573900  0.76573900  0.70351900  1.0
  Ba  Ba3  1  0.23426100  0.23426100  0.29648100  1.0
  Ba  Ba4  1  0.56898500  0.56898500  0.29380100  1.0
  Ba  Ba5  1  0.90671600  0.90671600  0.27984700  1.0
  Cu  Cu6  1  0.33293900  0.33293900  0.49880500  1.0
  Cu  Cu7  1  0.66706100  0.66706100  0.50119500  1.0
  Cu  Cu8  1  0.00000000  0.00000000  0.50000000  1.0
  Hg  Hg9  1  0.50000000  0.50000000  0.00000000  1.0
  Hg  Hg10  1  0.83666100  0.83666100  0.00005400  1.0
  Hg  Hg11  1  0.16333900  0.16333900  0.99994600  1.0
  O  O12  1  0.23984200  0.23984200  0.79152000  1.0
  O  O13  1  0.56957700  0.56957700  0.79133200  1.0
  O  O14  1  0.89910800  0.89910800  0.79165400  1.0
  O  O15  1  0.43042300  0.43042300  0.20866800  1.0
  O  O16  1  0.76015800  0.76015800  0.20848000  1.0
  O  O17  1  0.10089200  0.10089200  0.20834600  1.0
  O  O18  1  0.50000000  0.00000000  0.50000000  1.0
  O  O19  1  0.82971900  0.33503300  0.49901600  1.0
  O  O20  1  0.17028100  0.66496700  0.50098400  1.0
  O  O21  1  0.00000000  0.50000000  0.50000000  1.0
  O  O22  1  0.33503300  0.82971900  0.49901600  1.0
  O  O23  1  0.66496700  0.17028100  0.50098400  1.0
  O  O24  1  0.00000000  0.00000000  0.00000000  1.0