data_AgIr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.3
_cell_length_b   9.3
_cell_length_c   9.3
_cell_angle_alpha   17.03
_cell_angle_beta   17.03
_cell_angle_gamma   17.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgIr2Ru
_chemical_formula_sum   'Ag1 Ir2 Ru1'
_cell_volume   60.24
_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  0.75  1.0
  Ir  Ir1  1  0.0  0.0  0.48  1.0
  Ir  Ir2  1  0.0  0.0  0.02  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_AgIr2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.77
_cell_length_b   2.75
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   99.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgIr2Ru
_chemical_formula_sum   'Ag2 Ir4 Ru2'
_cell_volume   120.48
_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  0.25  1.0
  Ir  Ir1  2  -0.0  0.0  0.52  1.0
  Ir  Ir2  2  -0.0  0.0  0.98  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0

Ag Ir Ir Ru
Ag Ir Ir Ru 0 0 o + - 0 0 + - o 0 0 + o - 0 1 o o o 0 3 o o + 0 2 o o + 1 1 o + - 1 1 + - o 1 1 + o - 2 3 o o o 