data_NaSr2Th
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Th
_chemical_formula_sum   'Na1 Sr2 Th1'
_cell_volume   162.7
_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  Sr1  1  0.5  0.5  0.5  1.0
  Sr  Sr2  1  0.17  0.17  0.17  1.0
  Th  Th3  1  0.33  0.33  0.33  1.0

data_NaSr2Th
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   15.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaSr2Th
_chemical_formula_sum   'Na3 Sr6 Th3'
_cell_volume   488.09
_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  0.5  1.0
  Sr  Sr2  3  0.0  0.0  0.83  1.0
  Th  Th3  3  0.0  0.0  0.67  1.0

Na Sr Sr Th
Na Sr Sr Th 0 2 o o o 1 3 o o o 2 3 o o o 
NaSr2Th crystallizes in the trigonal R3m space group. Na(1) is bonded to one Sr(2) and three equivalent Th(1) atoms to form NaSrTh3 trigonal pyramids that share  a cornercorner with one Th(1)Na3Sr2 trigonal bipyramid and corners with six equivalent Na(1)SrTh3 trigonal pyramids. The Na(1)-Sr(2) bond length is 2.50 Å. All Na(1)-Th(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 Th(1) atom. The Sr(1)-Th(1) bond length is 2.50 Å. In the second Sr site, Sr(2) is bonded in a 2-coordinate geometry to one Na(1) and one Th(1) atom. The Sr(2)-Th(1) bond length is 2.50 Å. Th(1) is bonded to three equivalent Na(1), one Sr(1), and one Sr(2) atom to form distorted ThNa3Sr2 trigonal bipyramids that share corners with six equivalent Th(1)Na3Sr2 trigonal bipyramids and  a cornercorner with one Na(1)SrTh3 trigonal pyramid.