data_AsIr2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.65
_cell_angle_alpha   93.24
_cell_angle_beta   93.24
_cell_angle_gamma   33.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIr2W
_chemical_formula_sum   'As1 Ir2 W1'
_cell_volume   61.3
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.07  0.0  0.2  1.0
  Ir  Ir2  1  0.98  0.0  0.44  1.0
  W  W3  1  0.53  0.0  0.32  1.0

data_AsIr2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.65
_cell_length_c   4.87
_cell_angle_alpha   93.24
_cell_angle_beta   106.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIr2W
_chemical_formula_sum   'As1 Ir2 W1'
_cell_volume   61.3
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.2  0.07  1.0
  Ir  Ir2  1  0.0  0.44  0.98  1.0
  W  W3  1  0.0  0.32  0.53  1.0

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