data_BaAl2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   6.56
_cell_angle_alpha   107.22
_cell_angle_beta   107.22
_cell_angle_gamma   52.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAl2Ge
_chemical_formula_sum   'Ba1 Al2 Ge1'
_cell_volume   108.21
_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  Ba2  1  0.14  0.0  0.1  1.0
  Al  Al0  1  0.76  0.0  0.79  1.0
  Al  Al1  1  0.52  0.0  0.4  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

data_BaAl2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.7
_cell_length_c   6.56
_cell_angle_alpha   107.22
_cell_angle_beta   90.0
_cell_angle_gamma   116.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAl2Ge
_chemical_formula_sum   'Ba1 Al2 Ge1'
_cell_volume   108.21
_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  0.0  0.86  0.9  1.0
  Al  Al1  1  0.0  0.24  0.21  1.0
  Al  Al2  1  0.0  0.48  0.6  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Ba Al Al Ge