data_Nb2ZnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   138.95
_cell_angle_beta   131.79
_cell_angle_gamma   65.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnGe
_chemical_formula_sum   'Nb2 Zn1 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  0.0  0.0  0.64  1.0
  Nb  Nb2  1  0.8  0.0  0.18  1.0
  Zn  Zn3  1  0.0  0.0  0.42  1.0
  Ge  Ge0  1  0.0  0.1  0.11  1.0

data_Nb2ZnGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.2
_cell_length_c   5.15
_cell_angle_alpha   114.11
_cell_angle_beta   110.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnGe
_chemical_formula_sum   'Nb2 Zn1 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  0.36  0.36  0.36  1.0
  Nb  Nb1  1  0.62  0.82  0.62  1.0
  Zn  Zn2  1  0.58  0.58  0.58  1.0
  Ge  Ge3  1  0.89  0.99  0.99  1.0

Nb Nb Zn Ge