data_AgHg2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   7.14
_cell_angle_alpha   103.61
_cell_angle_beta   103.61
_cell_angle_gamma   45.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgHg2Te
_chemical_formula_sum   'Ag1 Hg2 Te1'
_cell_volume   107.81
_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
  Ag  Ag0  1  0.87  0.0  0.06  1.0
  Hg  Hg1  1  0.7  0.0  0.82  1.0
  Hg  Hg2  1  0.98  0.0  0.6  1.0
  Te  Te3  1  0.41  0.0  0.78  1.0

data_AgHg2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.67
_cell_length_c   7.14
_cell_angle_alpha   103.61
_cell_angle_beta   90.0
_cell_angle_gamma   112.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgHg2Te
_chemical_formula_sum   'Ag1 Hg2 Te1'
_cell_volume   107.81
_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
  Ag  Ag0  1  0.0  0.13  0.94  1.0
  Hg  Hg1  1  0.0  0.02  0.4  1.0
  Hg  Hg2  1  0.0  0.3  0.18  1.0
  Te  Te3  1  0.0  0.59  0.22  1.0

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