data_Nb5Si3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.78
_cell_length_b   7.78
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Si3P
_chemical_formula_sum   'Nb10 Si6 P2'
_cell_volume   282.28
_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  0.0  0.49  0.69  1.0
  Nb  Nb1  1  0.89  0.25  0.0  1.0
  Nb  Nb2  1  0.89  0.25  0.69  1.0
  Nb  Nb3  1  0.0  0.49  0.0  1.0
  Nb  Nb4  1  0.86  0.96  0.03  1.0
  Nb  Nb5  1  0.06  0.0  0.03  1.0
  Nb  Nb6  1  0.97  0.79  0.03  1.0
  Nb  Nb7  1  0.03  0.79  0.34  1.0
  Nb  Nb8  1  0.72  0.0  0.34  1.0
  Nb  Nb9  1  0.14  0.96  0.34  1.0
  Si  Si12  1  0.56  0.7  0.03  1.0
  Si  Si13  1  0.67  0.0  0.03  1.0
  Si  Si14  1  0.67  0.04  0.03  1.0
  Si  Si15  1  0.33  0.04  0.34  1.0
  Si  Si16  1  0.12  0.0  0.34  1.0
  Si  Si17  1  0.44  0.7  0.34  1.0
  P  P10  1  0.0  0.0  0.69  1.0
  P  P11  1  0.0  0.0  0.0  1.0

data_Nb5Si3P
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.38
_cell_length_b   7.78
_cell_length_c   7.78
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Si3P
_chemical_formula_sum   'Nb10 Si6 P2'
_cell_volume   282.28
_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  -0.0  0.0  0.49  1.0
  Nb  Nb1  1  -0.0  0.89  0.25  1.0
  Nb  Nb2  1  0.03  0.06  0.0  1.0
  Nb  Nb3  1  0.03  0.86  0.96  1.0
  Nb  Nb4  1  0.03  0.97  0.79  1.0
  Nb  Nb5  1  0.34  0.03  0.79  1.0
  Nb  Nb6  1  0.34  0.14  0.96  1.0
  Nb  Nb7  1  0.34  0.72  0.0  1.0
  Nb  Nb8  1  0.69  0.0  0.49  1.0
  Nb  Nb9  1  0.69  0.89  0.25  1.0
  Si  Si10  1  0.03  0.56  0.7  1.0
  Si  Si11  1  0.03  0.67  0.04  1.0
  Si  Si12  1  0.03  0.67  0.0  1.0
  Si  Si13  1  0.34  0.12  0.0  1.0
  Si  Si14  1  0.34  0.33  0.04  1.0
  Si  Si15  1  0.34  0.44  0.7  1.0
  P  P16  1  0.0  0.0  0.0  1.0
  P  P17  1  0.69  0.0  0.0  1.0

Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Si Si Si Si Si Si P P