data_CaMg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   121.09
_cell_angle_beta   119.79
_cell_angle_gamma   89.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg2Ge
_chemical_formula_sum   'Ca1 Mg2 Ge1'
_cell_volume   93.97
_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  0.62  1.0
  Mg  Mg2  1  0.0  0.0  0.04  1.0
  Mg  Mg3  1  0.0  0.57  0.84  1.0
  Ge  Ge1  1  0.52  0.0  0.78  1.0

data_CaMg2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.03
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   60.21
_cell_angle_beta   60.55
_cell_angle_gamma   60.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg2Ge
_chemical_formula_sum   'Ca1 Mg2 Ge1'
_cell_volume   93.97
_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  0.62  0.0  0.38  1.0
  Mg  Mg1  1  0.04  0.0  0.96  1.0
  Mg  Mg2  1  0.84  -0.0  0.73  1.0
  Ge  Ge3  1  0.26  0.52  0.22  1.0

Ca Mg Mg Ge
CaMg2Ge crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 3-coordinate geometry to one Mg(2), two equivalent Mg(1), and one Ge(1) atom. The Ca(1)-Mg(2) bond length is 2.51 Å. There is one shorter (2.11 Å) and one longer (3.00 Å) Ca(1)-Mg(1) bond length. The Ca(1)-Ge(1) bond length is 2.34 Å. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Mg(2), and one Ge(1) atom. The Mg(1)-Mg(2) bond length is 1.91 Å. The Mg(1)-Ge(1) bond length is 2.15 Å. In the second Mg site, Mg(2) is bonded in a distorted linear geometry to one Ca(1) and one Mg(1) atom. Ge(1) is bonded in a distorted linear geometry to one Ca(1) and one Mg(1) atom.