data_NbCuGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCuGe2
_chemical_formula_sum   'Nb1 Cu1 Ge2'
_cell_volume   64.67
_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  Nb3  1  0.0  0.0  0.07  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.73  0.0  0.96  1.0
  Ge  Ge2  1  0.73  0.0  0.17  1.0

data_NbCuGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCuGe2
_chemical_formula_sum   'Nb1 Cu1 Ge2'
_cell_volume   64.67
_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  0.0  0.0  0.07  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.73  0.0  0.17  1.0
  Ge  Ge3  1  0.73  0.0  0.96  1.0

Nb Cu Ge Ge
Nb Cu Ge Ge 0 1 o o o 0 3 - o o 1 2 - o - 