data_TaNb2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   4.68
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   99.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2Ge
_chemical_formula_sum   'Ta1 Nb2 Ge1'
_cell_volume   70.66
_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  0.99  0.0  0.63  1.0
  Nb  Nb1  1  0.0  0.34  0.35  1.0
  Nb  Nb2  1  0.98  0.34  0.9  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_TaNb2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.68
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   99.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2Ge
_chemical_formula_sum   'Ta1 Nb2 Ge1'
_cell_volume   70.66
_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  0.99  0.0  0.63  1.0
  Nb  Nb1  1  0.0  0.34  0.35  1.0
  Nb  Nb2  1  0.98  0.34  0.9  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

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