data_Cd2ReNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   5.07
_cell_angle_alpha   99.72
_cell_angle_beta   99.72
_cell_angle_gamma   32.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2ReNi
_chemical_formula_sum   'Cd2 Re1 Ni1'
_cell_volume   65.39
_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  0.86  0.0  0.22  1.0
  Cd  Cd1  1  0.77  0.0  0.78  1.0
  Re  Re3  1  0.31  0.0  0.5  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_Cd2ReNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.95
_cell_length_c   5.07
_cell_angle_alpha   99.72
_cell_angle_beta   90.0
_cell_angle_gamma   106.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2ReNi
_chemical_formula_sum   'Cd2 Re1 Ni1'
_cell_volume   65.39
_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  0.14  0.78  1.0
  Cd  Cd1  1  0.0  0.23  0.22  1.0
  Re  Re2  1  0.0  0.69  0.5  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

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