data_YCdRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.25
_cell_angle_alpha   98.09
_cell_angle_beta   98.09
_cell_angle_gamma   31.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCdRe2
_chemical_formula_sum   'Y1 Cd1 Re2'
_cell_volume   74.33
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.62  0.0  0.6  1.0
  Re  Re1  1  0.88  0.0  0.83  1.0
  Re  Re2  1  0.36  0.0  0.37  1.0

data_YCdRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   5.21
_cell_length_c   5.25
_cell_angle_alpha   98.09
_cell_angle_beta   90.0
_cell_angle_gamma   105.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCdRe2
_chemical_formula_sum   'Y1 Cd1 Re2'
_cell_volume   74.33
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.38  0.4  1.0
  Re  Re2  1  0.0  0.12  0.17  1.0
  Re  Re3  1  0.0  0.64  0.63  1.0

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