data_AgIr2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   7.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgIr2Os
_chemical_formula_sum   'Ag1 Ir2 Os1'
_cell_volume   61.17
_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  0.0  1.0
  Ir  Ir1  1  0.38  0.38  0.17  1.0
  Ir  Ir2  1  0.38  0.38  0.82  1.0
  Os  Os3  1  0.0  0.0  0.99  1.0

data_AgIr2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   7.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgIr2Os
_chemical_formula_sum   'Ag2 Ir4 Os2'
_cell_volume   122.33
_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  0.0  1.0
  Os  Os1  2  0.0  0.0  0.99  1.0
  Ir  Ir2  2  0.38  0.0  0.17  1.0
  Ir  Ir3  2  0.38  0.0  0.82  1.0

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