data_Nb2TcGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.93
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TcGe
_chemical_formula_sum   'Nb2 Tc1 Ge1'
_cell_volume   65.75
_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
  Nb  Nb1  1  0.54  0.97  0.4  1.0
  Nb  Nb2  1  0.54  0.97  0.03  1.0
  Tc  Tc3  1  0.0  0.0  0.72  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Nb2TcGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.93
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TcGe
_chemical_formula_sum   'Nb2 Tc1 Ge1'
_cell_volume   65.75
_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
  Nb  Nb0  1  0.54  0.97  0.03  1.0
  Nb  Nb1  1  0.54  0.97  0.4  1.0
  Tc  Tc2  1  0.0  0.0  0.72  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Nb Nb Tc Ge
Nb Nb Tc Ge 0 2 o + o 0 2 + + o 0 1 o o o 1 3 o + o 1 3 + + o 2 3 o o + 