data_BaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   134.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGe
_chemical_formula_sum   'Ba2 Ge2'
_cell_volume   135.59
_cell_formula_units_Z   2
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  Ba2  1  0.55  0.42  0.09  1.0
  Ba  Ba3  1  0.55  0.58  0.27  1.0
  Ge  Ge0  1  0.55  0.78  0.09  1.0
  Ge  Ge1  1  0.55  0.22  0.27  1.0

data_BaGe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.37
_cell_length_b   5.1
_cell_length_c   6.6
_cell_angle_alpha   112.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BaGe
_chemical_formula_sum   'Ba2 Ge2'
_cell_volume   135.59
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.09  0.42  0.92  1.0
  Ge  Ge1  2  0.09  0.78  0.28  1.0

Ba Ba Ge Ge
Ba Ba Ge Ge 0 1 o o o 0 3 o o o 1 2 o o o 