data_Ag2IrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   8.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2IrW
_chemical_formula_sum   'Ag2 Ir1 W1'
_cell_volume   66.24
_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  0.44  0.44  0.96  1.0
  Ag  Ag1  1  0.0  0.0  0.06  1.0
  Ir  Ir2  1  0.44  0.44  0.16  1.0
  W  W3  1  0.0  0.0  0.82  1.0

data_Ag2IrW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   8.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ag2IrW
_chemical_formula_sum   'Ag4 Ir2 W2'
_cell_volume   132.47
_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  0.06  1.0
  Ag  Ag1  2  0.44  0.0  0.96  1.0
  Ir  Ir2  2  0.44  0.0  0.16  1.0
  W  W3  2  0.0  0.0  0.82  1.0

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