data_NbGe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGe2P
_chemical_formula_sum   'Nb1 Ge2 P1'
_cell_volume   70.03
_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  Nb2  1  0.87  0.0  0.77  1.0
  Ge  Ge0  1  0.87  0.0  0.05  1.0
  Ge  Ge1  1  0.0  0.0  0.75  1.0
  P  P3  1  0.0  0.0  0.12  1.0

data_NbGe2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGe2P
_chemical_formula_sum   'Nb1 Ge2 P1'
_cell_volume   70.03
_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  0.87  0.0  0.77  1.0
  Ge  Ge1  1  0.0  0.0  0.75  1.0
  Ge  Ge2  1  0.87  0.0  0.05  1.0
  P  P3  1  0.0  0.0  0.12  1.0

Nb Ge Ge P
Nb Ge Ge P 0 2 + o o 1 3 + o o 