data_Na4P5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13
_cell_length_b   8.13
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na4P5
_chemical_formula_sum   'Na8 P10'
_cell_volume   333.36
_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
  Na  Na0  1  0.0  0.0  0.91  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Na  Na2  1  0.36  0.35  0.37  1.0
  Na  Na3  1  0.42  0.0  0.37  1.0
  Na  Na4  1  0.29  0.69  0.37  1.0
  Na  Na5  1  0.71  0.69  0.46  1.0
  Na  Na6  1  0.71  0.0  0.46  1.0
  Na  Na7  1  0.64  0.35  0.46  1.0
  P  P8  1  0.66  0.61  0.37  1.0
  P  P9  1  0.81  0.0  0.37  1.0
  P  P10  1  0.6  0.43  0.37  1.0
  P  P11  1  0.4  0.43  0.46  1.0
  P  P12  1  0.32  0.0  0.46  1.0
  P  P13  1  0.34  0.61  0.46  1.0
  P  P14  1  0.0  0.69  0.91  1.0
  P  P15  1  0.06  0.35  0.0  1.0
  P  P16  1  0.06  0.35  0.91  1.0
  P  P17  1  0.0  0.69  0.0  1.0

data_Na4P5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.83
_cell_length_b   8.13
_cell_length_c   8.13
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na4P5
_chemical_formula_sum   'Na8 P10'
_cell_volume   333.36
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Na  Na1  1  0.37  0.29  0.69  1.0
  Na  Na2  1  0.37  0.36  0.35  1.0
  Na  Na3  1  0.37  0.42  0.0  1.0
  Na  Na4  1  0.46  0.64  0.35  1.0
  Na  Na5  1  0.46  0.71  0.69  1.0
  Na  Na6  1  0.46  0.71  0.0  1.0
  Na  Na7  1  0.91  0.0  0.0  1.0
  P  P8  1  0.0  0.0  0.69  1.0
  P  P9  1  0.0  0.06  0.35  1.0
  P  P10  1  0.37  0.6  0.43  1.0
  P  P11  1  0.37  0.66  0.61  1.0
  P  P12  1  0.37  0.81  0.0  1.0
  P  P13  1  0.46  0.32  0.0  1.0
  P  P14  1  0.46  0.34  0.61  1.0
  P  P15  1  0.46  0.4  0.43  1.0
  P  P16  1  0.91  0.0  0.69  1.0
  P  P17  1  0.91  0.06  0.35  1.0

Na Na Na Na Na Na Na Na P P P P P P P P P P
Na Na Na Na Na Na Na Na P P P P P P P P P P 0 1 o o + 2 11 o o o 3 12 o o o 4 13 o o o 5 8 o o o 6 9 o o o 7 10 o o o 8 10 o o o 14 17 o o + 15 16 o o - 