data_HgBiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBiTe
_chemical_formula_sum   'Hg1 Bi1 Te1'
_cell_volume   87.18
_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
  Hg  Hg1  1  0.0  0.99  0.82  1.0
  Bi  Bi0  1  0.73  1.0  0.43  1.0
  Te  Te2  1  0.0  0.0  0.66  1.0

data_HgBiTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.45
_cell_length_b   5.98
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgBiTe
_chemical_formula_sum   'Hg2 Bi2 Te2'
_cell_volume   174.36
_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  0.82  1.0
  Bi  Bi1  2  0.22  0.5  0.43  1.0
  Te  Te2  2  0.5  0.5  0.66  1.0

Hg Bi Te
Hg Bi Te 0 2 o + o 1 2 + + o 