data_CoIr2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   2.7
_cell_angle_alpha   100.81
_cell_angle_beta   100.81
_cell_angle_gamma   115.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoIr2W
_chemical_formula_sum   'Co1 Ir2 W1'
_cell_volume   57.84
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.87  0.13  0.26  1.0
  Ir  Ir2  1  0.87  0.87  0.26  1.0
  W  W3  1  0.69  0.0  0.0  1.0

data_CoIr2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   115.57
_cell_angle_beta   100.81
_cell_angle_gamma   100.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoIr2W
_chemical_formula_sum   'Co1 Ir2 W1'
_cell_volume   57.84
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.26  0.87  0.87  1.0
  Ir  Ir2  1  0.26  0.87  0.13  1.0
  W  W3  1  -0.0  0.69  0.0  1.0

Co Ir Ir W
Co Ir Ir W 0 2 - - o 0 1 - o o 1 3 o o o 1 2 o - o 