data_CaNiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   120.72
_cell_angle_beta   120.72
_cell_angle_gamma   88.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNiGe2
_chemical_formula_sum   'Ca1 Ni1 Ge2'
_cell_volume   69.78
_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
  Ni  Ni3  1  0.0  0.0  0.32  1.0
  Ge  Ge1  1  0.29  0.0  0.66  1.0
  Ge  Ge2  1  0.0  0.29  0.66  1.0

data_CaNiGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   134.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaNiGe2
_chemical_formula_sum   'Ca2 Ni2 Ge4'
_cell_volume   139.56
_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  0.0  1.0
  Ni  Ni1  2  0.18  0.5  0.68  1.0
  Ge  Ge2  4  0.49  0.15  0.64  1.0

Ca Ni Ge Ge
Ca Ni Ge Ge 0 1 o o o 1 3 o o o 1 2 o o o 
CaNiGe2 crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a distorted single-bond geometry to one Ni(1) and four equivalent Ge(1) atoms. The Ca(1)-Ni(1) bond length is 1.46 Å. There are two shorter (2.57 Å) and two longer (2.82 Å) Ca(1)-Ge(1) bond lengths. Ni(1) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent Ge(1) atoms. Both Ni(1)-Ge(1) bond lengths are 1.47 Å. Ge(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Ni(1) atom.