# generated using pymatgen
data_CuHgO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85811746
_cell_length_b   3.85811746
_cell_length_c   6.37559395
_cell_angle_alpha   62.92307107
_cell_angle_beta   62.92307107
_cell_angle_gamma   45.80209880
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuHgO2
_chemical_formula_sum   'Cu1 Hg1 O2'
_cell_volume   59.15129517
_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
  Cu  Cu0  1  0.00000000  0.00000000  0.50000000  1.0
  Hg  Hg1  1  0.50000000  0.50000000  0.00000000  1.0
  O  O2  1  0.42857900  0.42857900  0.71967400  1.0
  O  O3  1  0.57142100  0.57142100  0.28032600  1.0