data_Ag3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61
_cell_length_b   8.61
_cell_length_c   8.61
_cell_angle_alpha   152.63
_cell_angle_beta   152.63
_cell_angle_gamma   39.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3Ir
_chemical_formula_sum   'Ag6 Ir2'
_cell_volume   134.83
_cell_formula_units_Z   2
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  0.04  0.0  1.0
  Ag  Ag1  1  0.0  0.0  0.04  1.0
  Ag  Ag2  1  0.0  0.0  0.2  1.0
  Ag  Ag3  1  0.0  0.04  0.06  1.0
  Ag  Ag4  1  0.04  0.0  0.06  1.0
  Ag  Ag5  1  0.04  0.0  0.0  1.0
  Ir  Ir6  1  0.0  0.0  0.1  1.0
  Ir  Ir7  1  0.0  0.0  0.14  1.0

data_Ag3Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   8.61
_cell_angle_alpha   90.0
_cell_angle_beta   109.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ag3Ir
_chemical_formula_sum   'Ag12 Ir4'
_cell_volume   269.66
_cell_formula_units_Z   4
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  4  0.04  0.02  0.02  1.0
  Ag  Ag1  4  0.48  0.52  0.96  1.0
  Ag  Ag2  2  0.04  0.0  0.04  1.0
  Ag  Ag3  2  0.2  0.0  0.2  1.0
  Ir  Ir4  2  0.1  0.0  0.1  1.0
  Ir  Ir5  2  0.14  0.0  0.14  1.0

Ag Ag Ag Ag Ag Ag Ir Ir