data_CaMg2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   4.95
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   102.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg2Ag
_chemical_formula_sum   'Ca1 Mg2 Ag1'
_cell_volume   101.31
_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  Ca1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.93  0.48  0.61  1.0
  Mg  Mg3  1  0.35  0.48  0.15  1.0
  Ag  Ag0  1  0.14  0.0  0.88  1.0

data_CaMg2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.95
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   102.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg2Ag
_chemical_formula_sum   'Ca1 Mg2 Ag1'
_cell_volume   101.31
_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  0.0  1.0
  Mg  Mg1  1  0.35  0.48  0.15  1.0
  Mg  Mg2  1  0.93  0.48  0.61  1.0
  Ag  Ag3  1  0.14  0.0  0.88  1.0

Ca Mg Mg Ag
CaMg2Ag crystallizes in the triclinic P1 space group. Ca(1) is bonded in a single-bond geometry to four equivalent Mg(2) and one Ag(1) atom. There are a spread of Ca(1)-Mg(2) bond distances ranging from 2.72-3.69 Å. The Ca(1)-Ag(1) bond length is 0.97 Å. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to three equivalent Mg(2) and two equivalent Ag(1) atoms. There are a spread of Mg(1)-Mg(2) bond distances ranging from 3.02-3.37 Å. There is one shorter (2.86 Å) and one longer (3.05 Å) Mg(1)-Ag(1) bond length. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to four equivalent Ca(1), three equivalent Mg(1), and two equivalent Ag(1) atoms. There is one shorter (2.86 Å) and one longer (3.05 Å) Mg(2)-Ag(1) bond length. Ag(1) is bonded in a single-bond geometry to one Ca(1), two equivalent Mg(1), and two equivalent Mg(2) atoms.