data_Co2SbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   3.67
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SbIr
_chemical_formula_sum   'Co2 Sb1 Ir1'
_cell_volume   57.32
_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  0.44  0.83  0.45  1.0
  Co  Co1  1  0.44  0.83  0.98  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.0  0.72  1.0

data_Co2SbIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   3.67
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SbIr
_chemical_formula_sum   'Co2 Sb1 Ir1'
_cell_volume   57.32
_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  0.44  0.83  0.45  1.0
  Co  Co1  1  0.44  0.83  0.98  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.72  1.0

Co Co Sb Ir
Co Co Sb Ir 0 3 o + o 0 3 + + o 1 2 o + + 2 3 o o - 