data_AgSnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   143.27
_cell_angle_beta   143.27
_cell_angle_gamma   52.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSnIr
_chemical_formula_sum   'Ag1 Sn1 Ir1'
_cell_volume   54.8
_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  0.59  1.0
  Sn  Sn2  1  0.0  0.0  0.53  1.0
  Ir  Ir1  1  0.0  0.0  0.08  1.0

data_AgSnIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   116.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgSnIr
_chemical_formula_sum   'Ag2 Sn2 Ir2'
_cell_volume   109.6
_cell_formula_units_Z   2
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  2  0.0  0.0  0.41  1.0
  Sn  Sn1  2  0.0  0.0  0.47  1.0
  Ir  Ir2  2  0.0  0.0  0.92  1.0

Ag Sn Ir
Ag Sn Ir 0 1 o o o 0 2 o o + 0 2 o o o 1 2 o o + 1 2 o o o 