data_AgSnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   145.1
_cell_angle_beta   136.36
_cell_angle_gamma   57.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSnIr
_chemical_formula_sum   'Ag1 Sn1 Ir1'
_cell_volume   54.06
_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  0.02  1.0
  Sn  Sn2  1  0.0  0.0  0.91  1.0
  Ir  Ir1  1  0.0  0.0  0.15  1.0

data_AgSnIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.84
_cell_length_c   5.17
_cell_angle_alpha   111.82
_cell_angle_beta   107.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSnIr
_chemical_formula_sum   'Ag1 Sn1 Ir1'
_cell_volume   54.06
_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  0.02  0.02  1.0
  Sn  Sn1  1  0.0  0.91  0.91  1.0
  Ir  Ir2  1  0.0  0.15  0.15  1.0

Ag Sn Ir
Ag Sn Ir 0 1 o o - 0 2 o o o 