data_SiAgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   148.59
_cell_angle_beta   127.84
_cell_angle_gamma   62.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAgIr2
_chemical_formula_sum   'Si1 Ag1 Ir2'
_cell_volume   60.11
_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  0.0  0.0  0.52  1.0
  Ir  Ir1  1  0.43  0.0  0.9  1.0
  Ir  Ir2  1  0.0  0.32  0.62  1.0

data_SiAgIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.64
_cell_length_c   5.28
_cell_angle_alpha   116.08
_cell_angle_beta   105.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAgIr2
_chemical_formula_sum   'Si1 Ag1 Ir2'
_cell_volume   60.11
_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  0.0  0.52  0.52  1.0
  Ir  Ir2  1  0.0  0.9  0.47  1.0
  Ir  Ir3  1  0.68  0.3  0.3  1.0

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