data_NbZn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   2.82
_cell_angle_alpha   96.63
_cell_angle_beta   96.63
_cell_angle_gamma   119.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZn2Ge
_chemical_formula_sum   'Nb1 Zn2 Ge1'
_cell_volume   65.93
_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  0.01  0.74  0.38  1.0
  Zn  Zn3  1  0.01  0.26  0.38  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   2.82
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   119.13
_cell_angle_beta   96.63
_cell_angle_gamma   96.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZn2Ge
_chemical_formula_sum   'Nb1 Zn2 Ge1'
_cell_volume   65.93
_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  0.38  0.01  0.74  1.0
  Zn  Zn2  1  0.38  0.01  0.26  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Nb Zn Zn Ge