data_NbGe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   4.52
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGe2As
_chemical_formula_sum   'Nb1 Ge2 As1'
_cell_volume   70.25
_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  Nb3  1  0.0  0.26  0.31  1.0
  Ge  Ge1  1  0.68  0.26  0.0  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.68  0.0  0.31  1.0

data_NbGe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.52
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGe2As
_chemical_formula_sum   'Nb1 Ge2 As1'
_cell_volume   70.25
_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  0.26  0.31  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.68  0.26  0.0  1.0
  As  As3  1  0.68  0.0  0.31  1.0

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