data_NaIr2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   3.54
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaIr2W
_chemical_formula_sum   'Na1 Ir2 W1'
_cell_volume   67.69
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.42  0.77  0.8  1.0
  Ir  Ir1  1  0.42  0.77  0.93  1.0
  W  W3  1  0.0  0.0  0.37  1.0

data_NaIr2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.54
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaIr2W
_chemical_formula_sum   'Na1 Ir2 W1'
_cell_volume   67.69
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.42  0.77  0.8  1.0
  Ir  Ir2  1  0.42  0.77  0.93  1.0
  W  W3  1  0.0  0.0  0.37  1.0

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