data_CoHg2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   130.95
_cell_angle_beta   130.95
_cell_angle_gamma   71.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHg2Bi
_chemical_formula_sum   'Co1 Hg2 Bi1'
_cell_volume   88.66
_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
  Co  Co1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.25  0.0  0.19  1.0
  Hg  Hg3  1  0.0  0.0  0.38  1.0
  Bi  Bi0  1  0.0  0.25  0.19  1.0

data_CoHg2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   5.42
_cell_angle_alpha   114.52
_cell_angle_beta   114.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHg2Bi
_chemical_formula_sum   'Co1 Hg2 Bi1'
_cell_volume   88.66
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.62  0.0  0.62  1.0
  Hg  Hg2  1  0.81  0.0  0.06  1.0
  Bi  Bi3  1  0.06  0.25  0.06  1.0

Co Hg Hg Bi