data_CaMgPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   120.87
_cell_angle_beta   120.87
_cell_angle_gamma   88.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMgPd2
_chemical_formula_sum   'Ca1 Mg1 Pd2'
_cell_volume   77.04
_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  0.0  0.44  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.37  0.72  1.0
  Pd  Pd3  1  0.37  0.0  0.72  1.0

data_CaMgPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   134.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaMgPd2
_chemical_formula_sum   'Ca2 Mg2 Pd4'
_cell_volume   154.09
_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  2  0.0  0.0  0.44  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  Pd  Pd2  4  0.32  0.32  0.35  1.0

Ca Mg Pd Pd
Ca Mg Pd Pd 0 2 o o o 0 3 o o o 0 1 o o + 0 1 o o o 1 2 o o - 1 2 o - - 1 3 - o - 1 3 o o - 
CaMgPd2 crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a distorted water-like geometry to one Mg(1) and two equivalent Pd(1) atoms. The Ca(1)-Mg(1) bond length is 2.09 Å. Both Ca(1)-Pd(1) bond lengths are 1.58 Å. Mg(1) is bonded in a 5-coordinate geometry to one Ca(1) and four equivalent Pd(1) atoms. There are two shorter (2.61 Å) and two longer (2.72 Å) Mg(1)-Pd(1) bond lengths. Pd(1) is bonded in a distorted single-bond geometry to one Ca(1) and two equivalent Mg(1) atoms.