data_Ba2CdGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   134.3
_cell_angle_beta   134.3
_cell_angle_gamma   66.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CdGe
_chemical_formula_sum   'Ba2 Cd1 Ge1'
_cell_volume   136.29
_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  0.51  0.0  0.7  1.0
  Ba  Ba1  1  0.0  0.0  0.4  1.0
  Cd  Cd2  1  0.0  0.51  0.7  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

data_Ba2CdGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   6.47
_cell_angle_alpha   112.85
_cell_angle_beta   112.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CdGe
_chemical_formula_sum   'Ba2 Cd1 Ge1'
_cell_volume   136.29
_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  0.4  0.4  0.4  1.0
  Ba  Ba1  1  0.7  0.19  0.19  1.0
  Cd  Cd2  1  0.19  0.7  0.19  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Ba Ba Cd Ge
Ba Ba Cd Ge 0 1 o o o 0 3 + o + 1 2 o o o 1 3 o o o 2 3 o + + 