# generated using pymatgen
data_Ba8Cu4Hg4O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.66641551
_cell_length_b   8.66641551
_cell_length_c   10.42436441
_cell_angle_alpha   70.58611710
_cell_angle_beta   70.58611710
_cell_angle_gamma   53.11347422
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba8Cu4Hg4O17
_chemical_formula_sum   'Ba8 Cu4 Hg4 O17'
_cell_volume   581.37533990
_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  0.57330300  0.57330300  0.20643400  1.0
  Ba  Ba1  1  0.06981800  0.06981800  0.22092000  1.0
  Ba  Ba2  1  0.32298700  0.32298700  0.20838500  1.0
  Ba  Ba3  1  0.82315000  0.82315000  0.20700000  1.0
  Ba  Ba4  1  0.67701300  0.67701300  0.79161500  1.0
  Ba  Ba5  1  0.17685000  0.17685000  0.79300000  1.0
  Ba  Ba6  1  0.42669700  0.42669700  0.79356600  1.0
  Ba  Ba7  1  0.93018200  0.93018200  0.77908000  1.0
  Cu  Cu8  1  0.24812900  0.75187100  0.00000000  1.0
  Cu  Cu9  1  0.75187100  0.24812900  0.00000000  1.0
  Cu  Cu10  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu11  1  0.50000000  0.00000000  0.00000000  1.0
  Hg  Hg12  1  0.36380300  0.87873200  0.50000300  1.0
  Hg  Hg13  1  0.87873200  0.36380300  0.50000300  1.0
  Hg  Hg14  1  0.12126800  0.63619700  0.49999700  1.0
  Hg  Hg15  1  0.63619700  0.12126800  0.49999700  1.0
  O  O16  1  0.18032200  0.67174800  0.28863900  1.0
  O  O17  1  0.67174800  0.18032200  0.28863900  1.0
  O  O18  1  0.92525800  0.43401600  0.28864800  1.0
  O  O19  1  0.43401600  0.92525800  0.28864800  1.0
  O  O20  1  0.32825200  0.81967800  0.71136100  1.0
  O  O21  1  0.81967800  0.32825200  0.71136100  1.0
  O  O22  1  0.07474200  0.56598400  0.71135200  1.0
  O  O23  1  0.56598400  0.07474200  0.71135200  1.0
  O  O24  1  0.37758100  0.87282400  0.99934000  1.0
  O  O25  1  0.87282400  0.37758100  0.99934000  1.0
  O  O26  1  0.12717600  0.62241900  0.00066000  1.0
  O  O27  1  0.62241900  0.12717600  0.00066000  1.0
  O  O28  1  0.50000000  0.50000000  0.00000000  1.0
  O  O29  1  0.00000000  0.00000000  0.00000000  1.0
  O  O30  1  0.25095800  0.25095800  0.99911200  1.0
  O  O31  1  0.74904200  0.74904200  0.00088800  1.0
  O  O32  1  0.00000000  0.00000000  0.50000000  1.0