data_CaVGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.4
_cell_length_b   9.4
_cell_length_c   9.4
_cell_angle_alpha   19.16
_cell_angle_beta   19.16
_cell_angle_gamma   19.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaVGe2
_chemical_formula_sum   'Ca1 V1 Ge2'
_cell_volume   78.28
_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  0.79  1.0
  V  V3  1  0.0  0.0  0.13  1.0
  Ge  Ge1  1  0.0  0.0  0.47  1.0
  Ge  Ge2  1  0.0  0.0  0.82  1.0

data_CaVGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.42
_cell_length_b   3.13
_cell_length_c   9.4
_cell_angle_alpha   90.0
_cell_angle_beta   101.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaVGe2
_chemical_formula_sum   'Ca2 V2 Ge4'
_cell_volume   156.56
_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  0.21  1.0
  V  V1  2  0.0  0.0  0.87  1.0
  Ge  Ge2  2  0.0  0.0  0.18  1.0
  Ge  Ge3  2  0.0  0.0  0.53  1.0

Ca V Ge Ge
Ca V Ge Ge 0 3 o o o 0 1 o o + 0 2 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o - 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o o 
CaVGe2 crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a single-bond geometry to one Ge(1) and one Ge(2) atom. The Ca(1)-Ge(1) bond length is 3.04 Å. The Ca(1)-Ge(2) bond length is 0.28 Å. V(1) is bonded in a distorted linear geometry to six equivalent V(1), one Ge(1), and one Ge(2) atom. All V(1)-V(1) bond lengths are 3.13 Å. The V(1)-Ge(1) bond length is 3.22 Å. The V(1)-Ge(2) bond length is 2.87 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted linear geometry to one Ca(1) and one V(1) atom. In the second Ge site, Ge(2) is bonded in a single-bond geometry to one Ca(1) and one V(1) atom.