data_NbPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   4.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPO5
_chemical_formula_sum   'Nb2 P2 O10'
_cell_volume   179.83
_cell_formula_units_Z   2
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  0.25  0.0  0.08  1.0
  Nb  Nb1  1  0.0  0.25  0.18  1.0
  P  P2  1  0.25  0.25  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  O  O4  1  0.25  0.0  0.31  1.0
  O  O5  1  0.0  0.25  0.96  1.0
  O  O6  1  0.13  0.23  0.88  1.0
  O  O7  1  0.36  0.26  0.88  1.0
  O  O8  1  0.5  0.38  0.88  1.0
  O  O9  1  0.99  0.11  0.88  1.0
  O  O10  1  0.11  0.5  0.39  1.0
  O  O11  1  0.38  0.99  0.39  1.0
  O  O12  1  0.23  0.36  0.39  1.0
  O  O13  1  0.26  0.13  0.39  1.0

data_NbPO5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   6.49
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPO5
_chemical_formula_sum   'Nb2 P2 O10'
_cell_volume   179.83
_cell_formula_units_Z   2
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  0.08  0.25  0.0  1.0
  Nb  Nb1  1  0.18  0.0  0.25  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.25  0.25  1.0
  O  O4  1  0.31  0.25  0.0  1.0
  O  O5  1  0.39  0.11  0.5  1.0
  O  O6  1  0.39  0.23  0.36  1.0
  O  O7  1  0.39  0.26  0.13  1.0
  O  O8  1  0.39  0.38  0.99  1.0
  O  O9  1  0.88  0.13  0.23  1.0
  O  O10  1  0.88  0.36  0.26  1.0
  O  O11  1  0.88  0.5  0.38  1.0
  O  O12  1  0.88  0.99  0.11  1.0
  O  O13  1  0.96  0.0  0.25  1.0

Nb Nb P P O O O O O O O O O O