data_NaPCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   10.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPCl6
_chemical_formula_sum   'Na2 P2 Cl12'
_cell_volume   427.13
_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  Na12  1  0.0  0.0  0.59  1.0
  Na  Na13  1  0.0  0.0  0.78  1.0
  P  P14  1  0.0  0.21  0.0  1.0
  P  P15  1  0.21  0.0  0.19  1.0
  Cl  Cl0  1  0.2  0.4  0.0  1.0
  Cl  Cl1  1  0.22  0.01  0.0  1.0
  Cl  Cl2  1  0.01  0.2  0.19  1.0
  Cl  Cl3  1  0.4  0.22  0.19  1.0
  Cl  Cl4  1  0.29  0.37  0.53  1.0
  Cl  Cl5  1  0.13  0.05  0.53  1.0
  Cl  Cl6  1  0.05  0.29  0.72  1.0
  Cl  Cl7  1  0.37  0.13  0.72  1.0
  Cl  Cl8  1  0.13  0.05  0.84  1.0
  Cl  Cl9  1  0.29  0.37  0.84  1.0
  Cl  Cl10  1  0.37  0.13  0.66  1.0
  Cl  Cl11  1  0.05  0.29  0.66  1.0

data_NaPCl6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   10.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPCl6
_chemical_formula_sum   'Na2 P2 Cl12'
_cell_volume   427.13
_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  0.59  1.0
  Na  Na1  1  0.0  0.0  0.78  1.0
  P  P2  1  -0.0  0.21  -0.0  1.0
  P  P3  1  0.21  0.0  0.19  1.0
  Cl  Cl4  1  0.01  0.2  0.19  1.0
  Cl  Cl5  1  0.05  0.29  0.66  1.0
  Cl  Cl6  1  0.05  0.29  0.72  1.0
  Cl  Cl7  1  0.13  0.05  0.53  1.0
  Cl  Cl8  1  0.13  0.05  0.84  1.0
  Cl  Cl9  1  0.2  0.4  -0.0  1.0
  Cl  Cl10  1  0.22  0.01  -0.0  1.0
  Cl  Cl11  1  0.29  0.37  0.53  1.0
  Cl  Cl12  1  0.29  0.37  0.84  1.0
  Cl  Cl13  1  0.37  0.13  0.66  1.0
  Cl  Cl14  1  0.37  0.13  0.72  1.0
  Cl  Cl15  1  0.4  0.22  0.19  1.0

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