data_BaCa2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCa2Ge
_chemical_formula_sum   'Ba1 Ca2 Ge1'
_cell_volume   134.69
_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
  Ba  Ba0  1  0.55  0.55  0.0  1.0
  Ca  Ca1  1  0.55  0.0  0.59  1.0
  Ca  Ca2  1  0.0  0.55  0.59  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

data_BaCa2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.21
_cell_length_b   7.21
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaCa2Ge
_chemical_formula_sum   'Ba2 Ca4 Ge2'
_cell_volume   269.39
_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
  Ba  Ba0  2  0.05  0.5  -0.0  1.0
  Ca  Ca1  4  0.27  0.27  0.59  1.0
  Ge  Ge2  2  0.0  0.0  0.0  1.0

Ba Ca Ca Ge
BaCa2Ge crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 12-coordinate geometry to eight equivalent Ca(1) and four equivalent Ge(1) atoms. There are a spread of Ba(1)-Ca(1) bond distances ranging from 3.13-4.15 Å. There are a spread of Ba(1)-Ge(1) bond distances ranging from 3.25-3.96 Å. Ca(1) is bonded in a 1-coordinate geometry to four equivalent Ba(1) and two equivalent Ge(1) atoms. There is one shorter (3.13 Å) and one longer (3.52 Å) Ca(1)-Ge(1) bond length. Ge(1) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Ca(1) atoms.