data_Hg2SbTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.66
_cell_length_b   11.66
_cell_length_c   11.66
_cell_angle_alpha   16.41
_cell_angle_beta   16.41
_cell_angle_gamma   16.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2SbTe
_chemical_formula_sum   'Hg2 Sb1 Te1'
_cell_volume   110.16
_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  0.0  0.0  0.78  1.0
  Hg  Hg1  1  0.0  0.0  0.71  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.25  1.0

data_Hg2SbTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.76
_cell_length_b   3.33
_cell_length_c   11.66
_cell_angle_alpha   90.0
_cell_angle_beta   99.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hg2SbTe
_chemical_formula_sum   'Hg4 Sb2 Te2'
_cell_volume   220.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.22  1.0
  Hg  Hg1  2  -0.0  0.0  0.29  1.0
  Sb  Sb2  2  0.0  0.0  0.0  1.0
  Te  Te3  2  0.0  0.0  0.75  1.0

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