data_BaGe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54
_cell_length_b   8.54
_cell_length_c   8.54
_cell_angle_alpha   147.01
_cell_angle_beta   119.78
_cell_angle_gamma   70.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGe5
_chemical_formula_sum   'Ba2 Ge10'
_cell_volume   289.6
_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  0.42  0.14  0.52  1.0
  Ba  Ba1  1  0.0  0.14  0.46  1.0
  Ge  Ge2  1  0.42  0.14  0.93  1.0
  Ge  Ge3  1  0.0  0.14  0.05  1.0
  Ge  Ge4  1  0.42  0.45  0.71  1.0
  Ge  Ge5  1  0.42  0.17  0.29  1.0
  Ge  Ge6  1  0.0  0.83  0.27  1.0
  Ge  Ge7  1  0.0  0.12  0.69  1.0
  Ge  Ge8  1  0.0  0.21  0.66  1.0
  Ge  Ge9  1  0.0  0.49  0.29  1.0
  Ge  Ge10  1  0.42  0.08  0.31  1.0
  Ge  Ge11  1  0.42  0.79  0.69  1.0

data_BaGe5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.85
_cell_length_b   8.54
_cell_length_c   8.54
_cell_angle_alpha   60.22
_cell_angle_beta   73.51
_cell_angle_gamma   73.51
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BaGe5
_chemical_formula_sum   'Ba2 Ge10'
_cell_volume   289.6
_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  0.18  0.79  0.53  1.0
  Ge  Ge1  2  0.01  0.21  0.59  1.0
  Ge  Ge2  2  0.01  0.79  0.05  1.0
  Ge  Ge3  2  0.23  0.21  0.06  1.0
  Ge  Ge4  2  0.39  0.79  0.39  1.0
  Ge  Ge5  2  0.41  0.79  0.28  1.0

Ba Ba Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge