data_TaSn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSn2Ge
_chemical_formula_sum   'Ta1 Sn2 Ge1'
_cell_volume   86.61
_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  0.0  0.0  0.43  1.0
  Sn  Sn1  1  0.96  0.0  0.3  1.0
  Sn  Sn2  1  0.96  0.0  0.56  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_TaSn2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSn2Ge
_chemical_formula_sum   'Ta1 Sn2 Ge1'
_cell_volume   86.61
_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  0.43  1.0
  Sn  Sn1  1  0.96  0.0  0.3  1.0
  Sn  Sn2  1  0.96  0.0  0.56  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Ta Sn Sn Ge
Ta Sn Sn Ge 0 1 - o o 0 2 - o o 1 3 + o o 3 3 o + o 3 3 + o o 