data_Co2IrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   2.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2IrW
_chemical_formula_sum   'Co2 Ir1 W1'
_cell_volume   51.57
_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  0.32  0.81  0.35  1.0
  Co  Co1  1  0.32  0.19  0.35  1.0
  Ir  Ir2  1  0.64  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Co2IrW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.48
_cell_length_c   4.48
_cell_angle_alpha   107.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2IrW
_chemical_formula_sum   'Co2 Ir1 W1'
_cell_volume   51.57
_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  0.35  0.32  0.19  1.0
  Co  Co1  1  0.35  0.32  0.81  1.0
  Ir  Ir2  1  0.0  0.64  0.0  1.0
  W  W3  1  0.0  0.0  0.0  1.0

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