data_CdReGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdReGe
_chemical_formula_sum   'Cd1 Re1 Ge1'
_cell_volume   53.54
_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
  Cd  Cd0  1  1.0  0.72  0.88  1.0
  Re  Re2  1  0.49  0.86  0.47  1.0
  Ge  Ge1  1  0.0  0.0  0.56  1.0

data_CdReGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdReGe
_chemical_formula_sum   'Cd1 Re1 Ge1'
_cell_volume   53.54
_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
  Cd  Cd0  1  1.0  0.72  0.88  1.0
  Re  Re1  1  0.49  0.86  0.47  1.0
  Ge  Ge2  1  0.0  0.0  0.56  1.0

Cd Re Ge
Cd Re Ge 0 0 + + o 0 0 o + o 0 0 + o o 0 2 + + o 0 2 + o o 0 1 o o o 0 1 + o o 1 2 + + o 