data_AlAgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAgTe2
_chemical_formula_sum   'Al1 Ag1 Te2'
_cell_volume   110.07
_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  Al1  1  0.0  0.0  0.46  1.0
  Ag  Ag0  1  0.99  0.99  0.95  1.0
  Te  Te2  1  0.99  0.99  0.22  1.0
  Te  Te3  1  0.0  0.0  0.76  1.0

data_AlAgTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlAgTe2
_chemical_formula_sum   'Al2 Ag2 Te4'
_cell_volume   220.14
_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
  Al  Al0  2  0.0  0.0  0.46  1.0
  Ag  Ag1  2  0.49  0.5  0.95  1.0
  Te  Te2  2  0.0  0.0  0.76  1.0
  Te  Te3  2  0.49  0.5  0.22  1.0

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