data_NaSr2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   9.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Ti
_chemical_formula_sum   'Na1 Sr2 Ti1'
_cell_volume   153.42
_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  0.64  1.0
  Sr  Sr1  1  0.01  0.01  0.11  1.0
  Sr  Sr2  1  0.0  0.0  0.87  1.0
  Ti  Ti3  1  0.01  0.01  0.02  1.0

data_NaSr2Ti
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   9.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaSr2Ti
_chemical_formula_sum   'Na2 Sr4 Ti2'
_cell_volume   306.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.64  1.0
  Sr  Sr1  2  0.0  0.0  0.87  1.0
  Sr  Sr2  2  0.01  0.0  0.11  1.0
  Ti  Ti3  2  0.01  0.0  0.02  1.0

Na Sr Sr Ti
NaSr2Ti is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NaSr2Ti clusters. Na(1) is bonded in a single-bond geometry to one Sr(2) atom. The Na(1)-Sr(2) bond length is 2.12 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a single-bond geometry to one Ti(1) atom. The Sr(1)-Ti(1) bond length is 0.89 Å. In the second Sr site, Sr(2) is bonded in a distorted single-bond geometry to one Na(1) and one Ti(1) atom. The Sr(2)-Ti(1) bond length is 1.42 Å. Ti(1) is bonded in a linear geometry to one Sr(1) and one Sr(2) atom.