# generated using pymatgen
data_Ba2CaCu2HgO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90483400
_cell_length_b   3.90483400
_cell_length_c   13.05860400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CaCu2HgO6
_chemical_formula_sum   'Ba2 Ca1 Cu2 Hg1 O6'
_cell_volume   199.11404926
_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  0.50000000  0.50000000  0.22990600  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.77009400  1.0
  Ca  Ca2  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu3  1  0.00000000  0.00000000  0.38508800  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.61491200  1.0
  Hg  Hg5  1  0.00000000  0.00000000  0.00000000  1.0
  O  O6  1  0.00000000  0.00000000  0.84585200  1.0
  O  O7  1  0.00000000  0.00000000  0.15414800  1.0
  O  O8  1  0.50000000  0.00000000  0.62106900  1.0
  O  O9  1  0.00000000  0.50000000  0.62106900  1.0
  O  O10  1  0.50000000  0.00000000  0.37893100  1.0
  O  O11  1  0.00000000  0.50000000  0.37893100  1.0