data_Hf2HgTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.06
_cell_length_b   9.06
_cell_length_c   9.06
_cell_angle_alpha   22.14
_cell_angle_beta   22.14
_cell_angle_gamma   22.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2HgTe
_chemical_formula_sum   'Hf2 Hg1 Te1'
_cell_volume   92.57
_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
  Hf  Hf0  1  0.0  0.0  0.68  1.0
  Hf  Hf1  1  0.0  0.0  0.82  1.0
  Hg  Hg2  1  0.0  0.0  0.25  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_Hf2HgTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.02
_cell_length_b   3.48
_cell_length_c   9.06
_cell_angle_alpha   90.0
_cell_angle_beta   102.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2HgTe
_chemical_formula_sum   'Hf4 Hg2 Te2'
_cell_volume   185.15
_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
  Hf  Hf0  2  -0.0  0.0  0.32  1.0
  Hf  Hf1  2  -0.0  0.0  0.18  1.0
  Hg  Hg2  2  -0.0  0.0  0.75  1.0
  Te  Te3  2  0.0  0.0  0.0  1.0

Hf Hf Hg Te
Hf Hf Hg Te 0 1 o o o 1 3 o o + 2 3 o o o 