data_Ir5W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   6.53
_cell_angle_alpha   103.65
_cell_angle_beta   103.65
_cell_angle_gamma   30.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir5W
_chemical_formula_sum   'Ir5 W1'
_cell_volume   88.6
_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
  Ir  Ir0  1  0.42  0.0  0.32  1.0
  Ir  Ir1  1  0.47  0.0  0.71  1.0
  Ir  Ir2  1  0.23  0.0  0.11  1.0
  Ir  Ir3  1  0.61  0.0  0.9  1.0
  Ir  Ir4  1  0.29  0.0  0.23  1.0
  W  W5  1  0.79  0.0  0.98  1.0

data_Ir5W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   5.24
_cell_length_c   6.53
_cell_angle_alpha   103.65
_cell_angle_beta   90.0
_cell_angle_gamma   105.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir5W
_chemical_formula_sum   'Ir5 W1'
_cell_volume   88.6
_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
  Ir  Ir0  1  0.0  0.39  0.1  1.0
  Ir  Ir1  1  0.0  0.53  0.29  1.0
  Ir  Ir2  1  0.0  0.58  0.68  1.0
  Ir  Ir3  1  0.0  0.71  0.77  1.0
  Ir  Ir4  1  0.0  0.77  0.89  1.0
  W  W5  1  0.0  0.21  0.02  1.0

Ir Ir Ir Ir Ir W
Ir Ir Ir Ir Ir W 0 4 o o o 1 3 o o o 2 4 o o o 3 5 o o o 