data_AgIrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgIrCl2
_chemical_formula_sum   'Ag1 Ir1 Cl2'
_cell_volume   81.3
_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  0.3  1.0
  Ir  Ir3  1  0.76  0.0  0.32  1.0
  Cl  Cl1  1  0.76  0.0  0.5  1.0
  Cl  Cl2  1  0.0  0.0  0.9  1.0

data_AgIrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgIrCl2
_chemical_formula_sum   'Ag1 Ir1 Cl2'
_cell_volume   81.3
_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  0.3  1.0
  Ir  Ir1  1  0.76  0.0  0.32  1.0
  Cl  Cl2  1  0.0  0.0  0.9  1.0
  Cl  Cl3  1  0.76  0.0  0.5  1.0

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