data_Co2IrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   130.16
_cell_angle_beta   130.16
_cell_angle_gamma   73.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2IrPt
_chemical_formula_sum   'Co2 Ir1 Pt1'
_cell_volume   52.98
_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  0.91  0.82  1.0
  Co  Co1  1  0.91  0.0  0.82  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.64  1.0

data_Co2IrPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   4.53
_cell_angle_alpha   90.0
_cell_angle_beta   126.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Co2IrPt
_chemical_formula_sum   'Co4 Ir2 Pt2'
_cell_volume   105.96
_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
  Co  Co0  4  0.14  0.05  0.09  1.0
  Ir  Ir1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.36  0.0  0.36  1.0

Co Co Ir Pt