data_Cr2Ir2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   6.14
_cell_angle_alpha   144.89
_cell_angle_beta   144.89
_cell_angle_gamma   50.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Ir2Pt
_chemical_formula_sum   'Cr2 Ir2 Pt1'
_cell_volume   76.2
_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
  Cr  Cr0  1  0.0  0.85  0.78  1.0
  Cr  Cr1  1  0.85  0.0  0.78  1.0
  Ir  Ir2  1  0.0  0.0  0.79  1.0
  Ir  Ir3  1  0.0  0.0  0.32  1.0
  Pt  Pt4  1  0.0  0.0  0.0  1.0

data_Cr2Ir2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   115.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2Ir2Pt
_chemical_formula_sum   'Cr4 Ir4 Pt2'
_cell_volume   152.41
_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
  Cr  Cr0  4  0.43  0.43  0.07  1.0
  Ir  Ir1  2  0.0  0.0  0.21  1.0
  Ir  Ir2  2  0.0  0.0  0.68  1.0
  Pt  Pt3  2  0.0  0.0  0.0  1.0

Cr Cr Ir Ir Pt
Cr Cr Ir Ir Pt 0 2 o + o 0 4 o + + 0 1 - + o 1 2 + o o 1 4 + o + 3 4 o o o 