data_Mg2RePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   5.21
_cell_angle_alpha   99.02
_cell_angle_beta   99.02
_cell_angle_gamma   33.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2RePd
_chemical_formula_sum   'Mg2 Re1 Pd1'
_cell_volume   64.65
_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
  Mg  Mg0  1  0.56  0.0  0.3  1.0
  Mg  Mg1  1  0.68  0.0  0.85  1.0
  Re  Re3  1  0.12  0.0  0.57  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_Mg2RePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.75
_cell_length_c   5.21
_cell_angle_alpha   99.02
_cell_angle_beta   90.0
_cell_angle_gamma   106.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2RePd
_chemical_formula_sum   'Mg2 Re1 Pd1'
_cell_volume   64.65
_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
  Mg  Mg0  1  0.0  0.32  0.15  1.0
  Mg  Mg1  1  0.0  0.44  0.7  1.0
  Re  Re2  1  0.0  0.88  0.43  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Mg Mg Re Pd
Mg2RePd crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), four equivalent Re(1), and four equivalent Pd(1) atoms. Both Mg(1)-Mg(1) bond lengths are 2.76 Å. There is one shorter (2.49 Å) and one longer (2.84 Å) Mg(1)-Mg(2) bond length. There are a spread of Mg(1)-Re(1) bond distances ranging from 2.73-3.42 Å. There are a spread of Mg(1)-Pd(1) bond distances ranging from 2.77-3.46 Å. In the second Mg site, Mg(2) is bonded in a single-bond geometry to two equivalent Mg(1), one Re(1), and one Pd(1) atom. The Mg(2)-Re(1) bond length is 2.81 Å. The Mg(2)-Pd(1) bond length is 1.61 Å. Re(1) is bonded in a 4-coordinate geometry to one Mg(2), four equivalent Mg(1), and one Pd(1) atom. The Re(1)-Pd(1) bond length is 2.40 Å. Pd(1) is bonded in a single-bond geometry to one Mg(2), four equivalent Mg(1), and one Re(1) atom.