data_AlIr2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.67
_cell_angle_alpha   98.83
_cell_angle_beta   98.83
_cell_angle_gamma   34.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIr2W
_chemical_formula_sum   'Al1 Ir2 W1'
_cell_volume   59.84
_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
  Al  Al0  1  0.77  0.0  0.64  1.0
  Ir  Ir1  1  0.48  0.0  0.43  1.0
  Ir  Ir2  1  0.68  0.0  0.31  1.0
  W  W3  1  0.2  0.0  0.15  1.0

data_AlIr2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.67
_cell_length_c   4.81
_cell_angle_alpha   98.83
_cell_angle_beta   107.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIr2W
_chemical_formula_sum   'Al1 Ir2 W1'
_cell_volume   59.84
_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
  Al  Al0  1  0.0  0.64  0.77  1.0
  Ir  Ir1  1  0.0  0.31  0.68  1.0
  Ir  Ir2  1  0.0  0.43  0.48  1.0
  W  W3  1  0.0  0.15  0.2  1.0

Al Ir Ir W
Al Ir Ir W 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 