data_Ta2SiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   3.35
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SiGe
_chemical_formula_sum   'Ta2 Si1 Ge1'
_cell_volume   65.02
_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  Ta2  1  0.44  0.68  0.61  1.0
  Ta  Ta3  1  0.44  0.68  0.1  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.36  1.0

data_Ta2SiGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   3.35
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SiGe
_chemical_formula_sum   'Ta2 Si1 Ge1'
_cell_volume   65.02
_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  0.44  0.68  0.1  1.0
  Ta  Ta1  1  0.44  0.68  0.61  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.0  0.36  1.0

Ta Ta Si Ge
Ta Ta Si Ge 0 3 o o o 0 3 o + o 0 3 + + o 0 2 o + + 0 0 + o o 1 2 o + o 1 2 + + o 1 3 + + o 1 3 o + o 2 3 o o o 3 3 + o o 