data_AgTe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.04
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   110.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgTe2Ir
_chemical_formula_sum   'Ag1 Te2 Ir1'
_cell_volume   94.01
_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
  Te  Te2  1  0.97  0.02  0.61  1.0
  Te  Te3  1  0.2  0.02  0.91  1.0
  Ir  Ir1  1  0.97  0.0  0.76  1.0

data_AgTe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.22
_cell_length_c   5.89
_cell_angle_alpha   110.38
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgTe2Ir
_chemical_formula_sum   'Ag1 Te2 Ir1'
_cell_volume   94.01
_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
  Te  Te1  1  0.98  0.03  0.39  1.0
  Te  Te2  1  0.98  0.8  0.09  1.0
  Ir  Ir3  1  0.0  0.03  0.24  1.0

Ag Te Te Ir