data_NbAl2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   135.67
_cell_angle_beta   135.67
_cell_angle_gamma   64.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAl2P
_chemical_formula_sum   'Nb1 Al2 P1'
_cell_volume   62.14
_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  0.91  0.0  0.14  1.0
  Al  Al0  1  0.0  0.91  0.14  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.27  1.0

data_NbAl2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   5.05
_cell_angle_alpha   112.16
_cell_angle_beta   112.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAl2P
_chemical_formula_sum   'Nb1 Al2 P1'
_cell_volume   62.14
_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  0.86  0.0  0.77  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.77  0.91  0.77  1.0
  P  P3  1  0.73  0.0  0.73  1.0

Nb Al Al P
Nb Al Al P 0 1 + - o 0 3 + o o 0 2 + o o 1 3 o + o 1 2 o + o 