data_HgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   8.36
_cell_angle_alpha   112.18
_cell_angle_beta   112.18
_cell_angle_gamma   27.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSb
_chemical_formula_sum   'Hg3 Sb3'
_cell_volume   165.79
_cell_formula_units_Z   3
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  0.31  0.0  0.8  1.0
  Hg  Hg1  1  0.22  0.0  0.29  1.0
  Hg  Hg2  1  0.51  0.0  0.78  1.0
  Sb  Sb3  1  0.56  0.0  0.95  1.0
  Sb  Sb4  1  0.05  0.0  0.2  1.0
  Sb  Sb5  1  0.95  0.0  0.38  1.0

data_HgSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   6.88
_cell_length_c   8.36
_cell_angle_alpha   112.18
_cell_angle_beta   90.0
_cell_angle_gamma   103.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSb
_chemical_formula_sum   'Hg3 Sb3'
_cell_volume   165.79
_cell_formula_units_Z   3
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  0.0  0.49  0.22  1.0
  Hg  Hg1  1  0.0  0.69  0.2  1.0
  Hg  Hg2  1  0.0  0.78  0.71  1.0
  Sb  Sb3  1  0.0  0.05  0.62  1.0
  Sb  Sb4  1  0.0  0.44  0.05  1.0
  Sb  Sb5  1  0.0  0.95  0.8  1.0

Hg Hg Hg Sb Sb Sb