data_Co2HgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.16
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   91.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2HgSb
_chemical_formula_sum   'Co2 Hg1 Sb1'
_cell_volume   63.18
_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  0.51  0.58  0.41  1.0
  Co  Co1  1  0.45  0.58  0.99  1.0
  Hg  Hg2  1  0.92  0.0  0.2  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

data_Co2HgSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.16
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   91.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2HgSb
_chemical_formula_sum   'Co2 Hg1 Sb1'
_cell_volume   63.18
_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  0.45  0.58  0.99  1.0
  Co  Co1  1  0.51  0.58  0.41  1.0
  Hg  Hg2  1  0.92  0.0  0.2  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

Co Co Hg Sb
Co Co Hg Sb 0 2 - o o 0 2 - + o 0 2 o o o 0 2 o + o 0 1 o o - 1 3 o o + 1 3 o + + 1 3 + o + 1 3 + + + 1 2 - + + 1 2 o + + 2 3 + o o 