data_AgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   8.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgIr
_chemical_formula_sum   'Ag2 Ir2'
_cell_volume   64.63
_cell_formula_units_Z   2
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  0.39  0.0  0.27  1.0
  Ag  Ag1  1  0.0  0.39  0.04  1.0
  Ir  Ir2  1  0.39  0.0  0.87  1.0
  Ir  Ir3  1  0.0  0.39  0.44  1.0

data_AgIr
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   8.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   AgIr
_chemical_formula_sum   'Ag4 Ir4'
_cell_volume   129.26
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  4  0.2  0.5  0.12  1.0
  Ir  Ir1  4  0.2  0.5  0.72  1.0

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