data_AlHgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   3.1
_cell_angle_alpha   94.7
_cell_angle_beta   94.7
_cell_angle_gamma   125.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHgTe2
_chemical_formula_sum   'Al1 Hg1 Te2'
_cell_volume   112.09
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.09  0.0  0.0  1.0
  Te  Te2  1  0.27  0.02  0.52  1.0
  Te  Te3  1  0.27  0.98  0.52  1.0

data_AlHgTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   6.17
_cell_length_c   6.71
_cell_angle_alpha   62.62
_cell_angle_beta   85.3
_cell_angle_gamma   79.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHgTe2
_chemical_formula_sum   'Al1 Hg1 Te2'
_cell_volume   112.09
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.09  1.0
  Te  Te2  1  0.48  0.02  0.24  1.0
  Te  Te3  1  0.48  0.98  0.29  1.0

Al Hg Te Te
Al Hg Te Te 0 1 o o o 2 3 o - o 