data_BiIrW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   2.92
_cell_angle_alpha   97.95
_cell_angle_beta   97.95
_cell_angle_gamma   116.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIrW2
_chemical_formula_sum   'Bi1 Ir1 W2'
_cell_volume   71.72
_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
  Bi  Bi0  1  0.8  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.01  0.27  0.41  1.0
  W  W3  1  0.01  0.73  0.41  1.0

data_BiIrW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   116.69
_cell_angle_beta   97.95
_cell_angle_gamma   97.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIrW2
_chemical_formula_sum   'Bi1 Ir1 W2'
_cell_volume   71.72
_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
  Bi  Bi0  1  0.0  0.8  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.41  0.01  0.27  1.0
  W  W3  1  0.41  0.01  0.73  1.0

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