data_CaMg2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   130.92
_cell_angle_beta   130.92
_cell_angle_gamma   71.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg2Ag
_chemical_formula_sum   'Ca1 Mg2 Ag1'
_cell_volume   94.8
_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  0.48  1.0
  Mg  Mg2  1  0.0  0.3  0.24  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.3  0.0  0.24  1.0

data_CaMg2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   5.54
_cell_angle_alpha   114.54
_cell_angle_beta   114.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg2Ag
_chemical_formula_sum   'Ca1 Mg2 Ag1'
_cell_volume   94.8
_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  0.52  0.0  0.52  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.06  0.3  0.06  1.0
  Ag  Ag3  1  0.76  0.0  0.06  1.0

Ca Mg Mg Ag
Ca Mg Mg Ag 0 1 o o o 0 1 o - o 0 3 - o o 0 3 o o o 0 2 o o o 0 2 o o + 1 2 o o o 2 3 o o o 
CaMg2Ag crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Ag(1) atoms. There is one shorter (2.73 Å) and one longer (3.17 Å) Ca(1)-Mg(1) bond length. There is one shorter (2.67 Å) and one longer (2.87 Å) Ca(1)-Mg(2) bond length. There is one shorter (2.73 Å) and one longer (3.17 Å) Ca(1)-Ag(1) bond length. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to two equivalent Ca(1) and one Mg(2) atom. The Mg(1)-Mg(2) bond length is 1.28 Å. In the second Mg site, Mg(2) is bonded in a distorted single-bond geometry to two equivalent Ca(1), one Mg(1), and one Ag(1) atom. The Mg(2)-Ag(1) bond length is 1.28 Å. Ag(1) is bonded in a single-bond geometry to two equivalent Ca(1) and one Mg(2) atom.