data_Ca2YCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2YCd
_chemical_formula_sum   'Ca2 Y1 Cd1'
_cell_volume   126.54
_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
  Ca  Ca0  1  0.0  0.46  0.62  1.0
  Ca  Ca1  1  0.46  0.0  0.62  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.46  0.46  0.0  1.0

data_Ca2YCd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.95
_cell_length_b   6.95
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2YCd
_chemical_formula_sum   'Ca4 Y2 Cd2'
_cell_volume   253.08
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ca  Ca0  4  0.23  0.23  0.62  1.0
  Y  Y1  2  0.0  0.0  0.0  1.0
  Cd  Cd2  2  0.46  0.0  0.0  1.0

Ca Ca Y Cd
Ca2YCd crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a 11-coordinate geometry to four equivalent Ca(1), four equivalent Y(1), and three equivalent Cd(1) atoms. There are a spread of Ca(1)-Ca(1) bond distances ranging from 3.17-3.78 Å. There are a spread of Ca(1)-Y(1) bond distances ranging from 2.99-4.22 Å. There are a spread of Ca(1)-Cd(1) bond distances ranging from 2.99-3.96 Å. Y(1) is bonded in a 12-coordinate geometry to eight equivalent Ca(1) and four equivalent Cd(1) atoms. There are a spread of Y(1)-Cd(1) bond distances ranging from 3.17-3.78 Å. Cd(1) is bonded in a 8-coordinate geometry to six equivalent Ca(1) and four equivalent Y(1) atoms.