data_Ba2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.2
_cell_length_b   7.87
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ge
_chemical_formula_sum   'Ba4 Ge2'
_cell_volume   307.94
_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  Ba0  1  0.47  0.61  0.0  1.0
  Ba  Ba1  1  0.73  0.26  0.0  1.0
  Ba  Ba2  1  0.13  0.67  0.72  1.0
  Ba  Ba3  1  0.07  0.2  0.72  1.0
  Ge  Ge4  1  0.0  0.0  0.0  1.0
  Ge  Ge5  1  0.6  0.94  0.72  1.0

data_Ba2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.43
_cell_length_b   7.2
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ge
_chemical_formula_sum   'Ba4 Ge2'
_cell_volume   307.94
_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  Ba0  1  -0.0  0.73  0.26  1.0
  Ba  Ba1  1  -0.0  0.47  0.61  1.0
  Ba  Ba2  1  0.72  0.07  0.2  1.0
  Ba  Ba3  1  0.72  0.13  0.67  1.0
  Ge  Ge4  1  0.0  0.0  0.0  1.0
  Ge  Ge5  1  0.72  0.6  0.94  1.0

Ba Ba Ba Ba Ge Ge