data_CrIrPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.06
_cell_length_b   9.06
_cell_length_c   9.06
_cell_angle_alpha   17.36
_cell_angle_beta   17.36
_cell_angle_gamma   17.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIrPt2
_chemical_formula_sum   'Cr1 Ir1 Pt2'
_cell_volume   57.77
_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  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.38  1.0
  Pt  Pt2  1  0.0  0.0  0.94  1.0
  Pt  Pt3  1  0.0  0.0  0.82  1.0

data_CrIrPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.74
_cell_length_b   2.73
_cell_length_c   9.06
_cell_angle_alpha   90.0
_cell_angle_beta   100.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrIrPt2
_chemical_formula_sum   'Cr2 Ir2 Pt4'
_cell_volume   115.55
_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  2  0.0  0.0  0.0  1.0
  Ir  Ir1  2  0.0  0.0  0.62  1.0
  Pt  Pt2  2  0.0  0.0  0.06  1.0
  Pt  Pt3  2  0.0  0.0  0.18  1.0

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