data_CdRe2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   4.25
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdRe2Sn
_chemical_formula_sum   'Cd1 Re2 Sn1'
_cell_volume   74.2
_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  0.0  0.0  0.0  1.0
  Re  Re1  1  0.49  0.13  0.72  1.0
  Re  Re2  1  0.49  0.13  0.14  1.0
  Sn  Sn3  1  0.0  0.0  0.93  1.0

data_CdRe2Sn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.25
_cell_length_b   2.98
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CdRe2Sn
_chemical_formula_sum   'Cd1 Re2 Sn1'
_cell_volume   74.2
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.0  1.0
  Re  Re1  1  0.13  0.5  0.14  1.0
  Re  Re2  1  0.13  0.5  0.72  1.0
  Sn  Sn3  1  0.0  0.0  0.93  1.0

Cd Re Re Sn
Cd Re Re Sn 0 3 o o - 0 1 o o - 0 1 - o - 0 2 o o o 0 2 - o o 1 3 o o o 1 3 + o o 1 2 o o + 2 3 o o - 2 3 + o - 