data_NbZn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   2.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZn2Ge
_chemical_formula_sum   'Nb1 Zn2 Ge1'
_cell_volume   65.47
_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  0.65  0.0  0.0  1.0
  Zn  Zn2  1  0.33  0.85  0.44  1.0
  Zn  Zn3  1  0.33  0.15  0.44  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_NbZn2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   116.68
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZn2Ge
_chemical_formula_sum   'Nb1 Zn2 Ge1'
_cell_volume   65.47
_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  0.65  0.0  1.0
  Zn  Zn1  1  0.44  0.33  0.15  1.0
  Zn  Zn2  1  0.44  0.33  0.85  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

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