data_TiCdRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   4.05
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCdRe2
_chemical_formula_sum   'Ti1 Cd1 Re2'
_cell_volume   68.07
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.89  1.0
  Re  Re1  1  0.45  0.03  0.6  1.0
  Re  Re2  1  0.45  0.03  0.19  1.0

data_TiCdRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.05
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCdRe2
_chemical_formula_sum   'Ti1 Cd1 Re2'
_cell_volume   68.07
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.89  1.0
  Re  Re2  1  0.45  0.03  0.19  1.0
  Re  Re3  1  0.45  0.03  0.6  1.0

Ti Cd Re Re
Ti Cd Re Re 0 1 o o - 0 2 o o - 0 3 o o o 0 3 - o o 1 2 o o o 1 2 - o o 2 3 o o o 