data_SiAg2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   6.57
_cell_angle_alpha   154.7
_cell_angle_beta   145.51
_cell_angle_gamma   43.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAg2Ir
_chemical_formula_sum   'Si1 Ag2 Ir1'
_cell_volume   68.38
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.44  0.0  0.28  1.0
  Ag  Ag1  1  0.0  0.95  0.82  1.0
  Ir  Ir2  1  0.0  0.0  0.1  1.0

data_SiAg2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   3.89
_cell_length_c   6.57
_cell_angle_alpha   107.24
_cell_angle_beta   102.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAg2Ir
_chemical_formula_sum   'Si1 Ag2 Ir1'
_cell_volume   68.38
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.16  0.72  0.16  1.0
  Ag  Ag2  1  0.18  0.12  0.12  1.0
  Ir  Ir3  1  0.9  0.9  0.9  1.0

Si Ag Ag Ir
Si Ag Ag Ir 0 3 o o o 0 1 o o o 0 2 o - - 1 2 o - - 