data_NaSr2Pa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   6.08
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Pa
_chemical_formula_sum   'Na1 Sr2 Pa1'
_cell_volume   159.27
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Sr  Sr2  1  0.45  0.45  0.45  1.0
  Sr  Sr3  1  0.15  0.15  0.15  1.0
  Pa  Pa1  1  0.3  0.3  0.3  1.0

data_NaSr2Pa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   14.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaSr2Pa
_chemical_formula_sum   'Na3 Sr6 Pa3'
_cell_volume   477.8
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Sr  Sr1  3  0.0  0.0  0.55  1.0
  Sr  Sr2  3  0.0  0.0  0.85  1.0
  Pa  Pa3  3  0.0  0.0  0.7  1.0

Na Sr Sr Pa
NaSr2Pa crystallizes in the trigonal R3m space group. Na(1) is bonded to one Sr(2) and three equivalent Pa(1) atoms to form distorted corner-sharing NaSrPa3 trigonal pyramids. The Na(1)-Sr(2) bond length is 2.25 Å. All Na(1)-Pa(1) bond lengths are 3.54 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a single-bond geometry to one Pa(1) atom. The Sr(1)-Pa(1) bond length is 2.25 Å. In the second Sr site, Sr(2) is bonded in a distorted linear geometry to one Na(1) and one Pa(1) atom. The Sr(2)-Pa(1) bond length is 2.25 Å. Pa(1) is bonded in a distorted linear geometry to three equivalent Na(1), one Sr(1), and one Sr(2) atom.