data_Nb2NiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   2.93
_cell_angle_alpha   92.29
_cell_angle_beta   92.29
_cell_angle_gamma   107.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2NiGe
_chemical_formula_sum   'Nb2 Ni1 Ge1'
_cell_volume   61.27
_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  0.29  0.89  0.46  1.0
  Nb  Nb2  1  0.29  0.11  0.46  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.77  0.0  0.0  1.0

data_Nb2NiGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   107.63
_cell_angle_beta   92.29
_cell_angle_gamma   92.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2NiGe
_chemical_formula_sum   'Nb2 Ni1 Ge1'
_cell_volume   61.27
_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  0.46  0.29  0.11  1.0
  Nb  Nb1  1  0.46  0.29  0.89  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.77  0.0  1.0

Nb Nb Ni Ge