data_TaGeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   3.06
_cell_angle_alpha   103.95
_cell_angle_beta   103.95
_cell_angle_gamma   115.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGeCl2
_chemical_formula_sum   'Ta1 Ge1 Cl2'
_cell_volume   74.17
_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  Ta3  1  0.93  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.47  0.68  0.0  1.0
  Cl  Cl1  1  0.47  0.32  0.0  1.0

data_TaGeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.25
_cell_length_c   5.49
_cell_angle_alpha   117.17
_cell_angle_beta   103.95
_cell_angle_gamma   94.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGeCl2
_chemical_formula_sum   'Ta1 Ge1 Cl2'
_cell_volume   74.17
_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  0.0  0.0  0.93  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.32  0.32  0.78  1.0
  Cl  Cl3  1  0.68  0.68  0.15  1.0

Ta Ge Cl Cl