data_Hg2BiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   3.41
_cell_angle_alpha   98.9
_cell_angle_beta   98.9
_cell_angle_gamma   111.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2BiSb
_chemical_formula_sum   'Hg2 Bi1 Sb1'
_cell_volume   110.31
_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
  Hg  Hg1  1  0.23  0.52  0.64  1.0
  Hg  Hg2  1  0.23  0.48  0.64  1.0
  Bi  Bi0  1  0.39  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

data_Hg2BiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   111.28
_cell_angle_beta   98.9
_cell_angle_gamma   98.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2BiSb
_chemical_formula_sum   'Hg2 Bi1 Sb1'
_cell_volume   110.31
_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
  Hg  Hg0  1  0.64  0.23  0.48  1.0
  Hg  Hg1  1  0.64  0.23  0.52  1.0
  Bi  Bi2  1  0.0  0.39  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

Hg Hg Bi Sb
Hg Hg Bi Sb 0 1 o o o 0 2 o + + 1 2 o + + 2 3 o o o 