data_AsIrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   151.22
_cell_angle_beta   151.22
_cell_angle_gamma   41.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIrW
_chemical_formula_sum   'As1 Ir1 W1'
_cell_volume   47.97
_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  0.05  1.0
  Ir  Ir1  1  0.0  0.0  0.57  1.0
  W  W2  1  0.0  0.0  0.46  1.0

data_AsIrW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   110.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AsIrW
_chemical_formula_sum   'As2 Ir2 W2'
_cell_volume   95.94
_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
  As  As0  2  0.05  0.0  0.05  1.0
  Ir  Ir1  2  0.07  0.5  0.57  1.0
  W  W2  2  0.46  0.0  0.46  1.0

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