data_CaLa2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLa2Ge
_chemical_formula_sum   'Ca1 La2 Ge1'
_cell_volume   117.64
_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
  La  La2  1  0.46  0.0  0.43  1.0
  La  La3  1  0.0  0.46  0.43  1.0
  Ge  Ge1  1  0.46  0.46  0.0  1.0

data_CaLa2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.95
_cell_length_b   6.95
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaLa2Ge
_chemical_formula_sum   'Ca2 La4 Ge2'
_cell_volume   235.28
_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
  La  La1  4  0.23  0.23  0.43  1.0
  Ge  Ge2  2  0.46  0.0  0.0  1.0

Ca La La Ge
Ca La La Ge 0 3 - - o 0 3 - o o 0 3 o - o 0 3 o o o 0 1 - o - 0 1 - o o 0 1 o o - 0 1 o o o 0 2 o - - 0 2 o - o 0 2 o o - 0 2 o o o 1 2 o - o 1 2 o o o 1 2 + - o 1 2 + o o 1 3 o - o 1 3 o - + 1 3 o o o 1 3 o o + 2 3 - o o 2 3 - o + 2 3 o o o 2 3 o o + 
CaLa2Ge crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a 12-coordinate geometry to eight equivalent La(1) and four equivalent Ge(1) atoms. There are a spread of Ca(1)-La(1) bond distances ranging from 3.09-3.83 Å. There are a spread of Ca(1)-Ge(1) bond distances ranging from 3.18-3.77 Å. La(1) is bonded in a 12-coordinate geometry to four equivalent Ca(1), four equivalent La(1), and four equivalent Ge(1) atoms. There are a spread of La(1)-La(1) bond distances ranging from 3.18-3.77 Å. There are a spread of La(1)-Ge(1) bond distances ranging from 3.09-3.83 Å. Ge(1) is bonded in a 11-coordinate geometry to four equivalent Ca(1) and eight equivalent La(1) atoms.