data_HgSb2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.58
_cell_length_b   11.58
_cell_length_c   11.58
_cell_angle_alpha   16.53
_cell_angle_beta   16.53
_cell_angle_gamma   16.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSb2Te
_chemical_formula_sum   'Hg1 Sb2 Te1'
_cell_volume   109.49
_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  0.12  1.0
  Sb  Sb1  1  0.0  0.0  0.84  1.0
  Sb  Sb2  1  0.0  0.0  0.41  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_HgSb2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.76
_cell_length_b   3.33
_cell_length_c   11.58
_cell_angle_alpha   90.0
_cell_angle_beta   99.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgSb2Te
_chemical_formula_sum   'Hg2 Sb4 Te2'
_cell_volume   218.97
_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  0.88  1.0
  Sb  Sb1  2  0.0  0.0  0.16  1.0
  Sb  Sb2  2  0.0  0.0  0.59  1.0
  Te  Te3  2  0.0  0.0  0.0  1.0

Hg Sb Sb Te