# generated using pymatgen
data_Ba4Ca4Cu6Hg2O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.48218800
_cell_length_b   16.48218800
_cell_length_c   16.48218800
_cell_angle_alpha   160.92587917
_cell_angle_beta   160.92587917
_cell_angle_gamma   27.10246251
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Ca4Cu6Hg2O17
_chemical_formula_sum   'Ba4 Ca4 Cu6 Hg2 O17'
_cell_volume   477.98231744
_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  0.08755300  0.08755300  0.00000000  1.0
  Ba  Ba1  1  0.58202800  0.58202800  0.00000000  1.0
  Ba  Ba2  1  0.91244700  0.91244700  0.00000000  1.0
  Ba  Ba3  1  0.41797200  0.41797200  0.00000000  1.0
  Ca  Ca4  1  0.19940100  0.19940100  0.00000000  1.0
  Ca  Ca5  1  0.69828200  0.69828200  0.00000000  1.0
  Ca  Ca6  1  0.80059900  0.80059900  0.00000000  1.0
  Ca  Ca7  1  0.30171800  0.30171800  0.00000000  1.0
  Cu  Cu8  1  0.65044800  0.15044800  0.50000000  1.0
  Cu  Cu9  1  0.15044800  0.65044800  0.50000000  1.0
  Cu  Cu10  1  0.34955200  0.84955200  0.50000000  1.0
  Cu  Cu11  1  0.84955200  0.34955200  0.50000000  1.0
  Cu  Cu12  1  0.25000000  0.75000000  0.50000000  1.0
  Cu  Cu13  1  0.75000000  0.25000000  0.50000000  1.0
  Hg  Hg14  1  0.50000000  0.00000000  0.50000000  1.0
  Hg  Hg15  1  0.00000000  0.50000000  0.50000000  1.0
  O  O16  1  0.56436700  0.06436700  0.50000000  1.0
  O  O17  1  0.06436700  0.56436700  0.50000000  1.0
  O  O18  1  0.43563300  0.93563300  0.50000000  1.0
  O  O19  1  0.93563300  0.43563300  0.50000000  1.0
  O  O20  1  0.90394700  0.90394700  0.50321800  1.0
  O  O21  1  0.40072900  0.40072900  0.49678200  1.0
  O  O22  1  0.90394700  0.40072900  0.00000000  1.0
  O  O23  1  0.40072900  0.90394700  0.00000000  1.0
  O  O24  1  0.59927100  0.59927100  0.50321800  1.0
  O  O25  1  0.09605300  0.09605300  0.49678200  1.0
  O  O26  1  0.59927100  0.09605300  0.00000000  1.0
  O  O27  1  0.09605300  0.59927100  0.00000000  1.0
  O  O28  1  0.50000000  0.50000000  0.50000000  1.0
  O  O29  1  0.00000000  0.00000000  0.50000000  1.0
  O  O30  1  0.50000000  0.00000000  0.00000000  1.0
  O  O31  1  0.00000000  0.50000000  0.00000000  1.0
  O  O32  1  0.50000000  0.50000000  0.00000000  1.0