data_Ag2TeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2TeIr
_chemical_formula_sum   'Ag2 Te1 Ir1'
_cell_volume   75.69
_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  0.37  0.25  0.53  1.0
  Ag  Ag1  1  0.37  0.75  0.53  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.74  0.0  0.0  1.0

data_Ag2TeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   117.46
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2TeIr
_chemical_formula_sum   'Ag2 Te1 Ir1'
_cell_volume   75.69
_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  0.53  0.37  0.25  1.0
  Ag  Ag1  1  0.53  0.37  0.75  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.74  0.0  1.0

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