data_Nb2ZnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   135.78
_cell_angle_beta   135.78
_cell_angle_gamma   64.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnGe
_chemical_formula_sum   'Nb2 Zn1 Ge1'
_cell_volume   66.17
_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  0.0  0.0  0.37  1.0
  Nb  Nb2  1  0.0  0.94  0.19  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.94  0.0  0.19  1.0

data_Nb2ZnGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   5.17
_cell_angle_alpha   112.11
_cell_angle_beta   112.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnGe
_chemical_formula_sum   'Nb2 Zn1 Ge1'
_cell_volume   66.17
_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  0.24  0.19  0.24  1.0
  Nb  Nb1  1  0.37  0.37  0.37  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.19  0.24  0.24  1.0

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