data_NbGe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   4.23
_cell_angle_alpha   91.29
_cell_angle_beta   91.29
_cell_angle_gamma   37.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGe2As
_chemical_formula_sum   'Nb1 Ge2 As1'
_cell_volume   71.83
_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  0.94  0.0  0.12  1.0
  Ge  Ge1  1  0.56  0.0  0.13  1.0
  Ge  Ge2  1  0.31  0.0  0.1  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_NbGe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.23
_cell_length_c   5.27
_cell_angle_alpha   91.29
_cell_angle_beta   108.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGe2As
_chemical_formula_sum   'Nb1 Ge2 As1'
_cell_volume   71.83
_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  0.12  0.94  1.0
  Ge  Ge1  1  0.0  0.1  0.31  1.0
  Ge  Ge2  1  0.0  0.13  0.56  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Nb Ge Ge As