data_CoHgO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   52.13
_cell_angle_beta   52.13
_cell_angle_gamma   52.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHgO3
_chemical_formula_sum   'Co2 Hg2 O6'
_cell_volume   116.6
_cell_formula_units_Z   2
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
  Co  Co0  1  0.0  0.0  0.72  1.0
  Co  Co1  1  0.0  0.0  0.45  1.0
  Hg  Hg2  1  0.0  0.0  0.57  1.0
  Hg  Hg3  1  0.0  0.0  0.61  1.0
  O  O4  1  0.03  0.25  0.61  1.0
  O  O5  1  0.97  0.71  0.61  1.0
  O  O6  1  0.0  0.04  0.61  1.0
  O  O7  1  1.0  0.96  0.56  1.0
  O  O8  1  0.03  0.29  0.56  1.0
  O  O9  1  0.97  0.75  0.56  1.0

data_CoHgO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.87
_cell_angle_alpha   63.94
_cell_angle_beta   63.94
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CoHgO3
_chemical_formula_sum   'Co2 Hg2 O6'
_cell_volume   116.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Co  Co0  2  0.0  0.14  0.36  1.0
  Hg  Hg1  2  0.0  0.02  0.48  1.0
  O  O2  2  0.04  0.03  0.44  1.0
  O  O3  2  0.25  0.03  0.19  1.0
  O  O4  2  0.29  0.97  0.21  1.0

Co Co Hg Hg O O O O O O