data_TaGe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76
_cell_length_b   7.76
_cell_length_c   3.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   151.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGe5
_chemical_formula_sum   'Ta1 Ge5'
_cell_volume   111.26
_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
  Ta  Ta5  1  0.94  0.0  0.91  1.0
  Ge  Ge0  1  0.94  0.41  0.0  1.0
  Ge  Ge1  1  0.94  0.21  0.91  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.94  0.79  0.91  1.0
  Ge  Ge4  1  0.94  0.59  0.0  1.0

data_TaGe5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   3.87
_cell_length_c   7.76
_cell_angle_alpha   104.46
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGe5
_chemical_formula_sum   'Ta1 Ge5'
_cell_volume   111.26
_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
  Ta  Ta0  1  0.91  0.0  0.94  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.41  0.35  1.0
  Ge  Ge3  1  0.0  0.59  0.52  1.0
  Ge  Ge4  1  0.91  0.21  0.15  1.0
  Ge  Ge5  1  0.91  0.79  0.72  1.0

Ta Ge Ge Ge Ge Ge
Ta Ge Ge Ge Ge Ge 0 3 + o + 0 2 o o o 1 5 o o o 1 2 o o - 3 4 - - - 4 5 o o + 