data_CoHg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   131.22
_cell_angle_beta   131.22
_cell_angle_gamma   71.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHg2Sb
_chemical_formula_sum   'Co1 Hg2 Sb1'
_cell_volume   83.07
_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  0.19  0.0  0.16  1.0
  Hg  Hg2  1  0.0  0.0  0.31  1.0
  Sb  Sb3  1  0.0  0.19  0.16  1.0

data_CoHg2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   5.31
_cell_angle_alpha   114.39
_cell_angle_beta   114.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHg2Sb
_chemical_formula_sum   'Co1 Hg2 Sb1'
_cell_volume   83.07
_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  0.16  0.96  0.96  1.0
  Hg  Hg2  1  0.31  0.31  0.31  1.0
  Sb  Sb3  1  0.96  0.16  0.96  1.0

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