data_AgBiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBiTe2
_chemical_formula_sum   'Ag1 Bi1 Te2'
_cell_volume   109.76
_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  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.0  0.61  1.0
  Te  Te2  1  0.95  0.95  0.52  1.0
  Te  Te3  1  0.95  0.95  0.7  1.0

data_AgBiTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgBiTe2
_chemical_formula_sum   'Ag2 Bi2 Te4'
_cell_volume   219.53
_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
  Ag  Ag0  2  0.0  0.0  0.0  1.0
  Bi  Bi1  2  0.0  0.0  0.61  1.0
  Te  Te2  2  0.45  0.5  0.52  1.0
  Te  Te3  2  0.45  0.5  0.7  1.0

Ag Bi Te Te
Ag Bi Te Te 0 3 - - - 1 2 - - o 1 3 - - o 