data_Cr2GePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   3.91
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2GePt
_chemical_formula_sum   'Cr2 Ge1 Pt1'
_cell_volume   54.47
_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  0.39  0.96  0.96  1.0
  Cr  Cr1  1  0.39  0.96  0.06  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.51  1.0

data_Cr2GePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   3.91
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2GePt
_chemical_formula_sum   'Cr2 Ge1 Pt1'
_cell_volume   54.47
_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  0.39  0.96  0.06  1.0
  Cr  Cr1  1  0.39  0.96  0.96  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.51  1.0

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