data_CrRePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   3.88
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRePt2
_chemical_formula_sum   'Cr1 Re1 Pt2'
_cell_volume   58.18
_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  0.16  1.0
  Re  Re3  1  0.35  0.94  0.83  1.0
  Pt  Pt1  1  0.35  0.94  0.48  1.0
  Pt  Pt2  1  0.0  0.0  0.45  1.0

data_CrRePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   3.88
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRePt2
_chemical_formula_sum   'Cr1 Re1 Pt2'
_cell_volume   58.18
_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  0.16  1.0
  Re  Re1  1  0.35  0.94  0.83  1.0
  Pt  Pt2  1  0.0  0.0  0.45  1.0
  Pt  Pt3  1  0.35  0.94  0.48  1.0

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