data_NaSrLa4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   7.08
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSrLa4
_chemical_formula_sum   'Na1 Sr1 La4'
_cell_volume   250.82
_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  Na4  1  0.0  0.0  0.0  1.0
  Sr  Sr5  1  0.5  0.5  0.5  1.0
  La  La0  1  0.76  0.76  0.25  1.0
  La  La1  1  0.76  0.25  0.76  1.0
  La  La2  1  0.25  0.76  0.76  1.0
  La  La3  1  0.25  0.25  0.25  1.0

data_NaSrLa4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   17.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaSrLa4
_chemical_formula_sum   'Na3 Sr3 La12'
_cell_volume   752.45
_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
  La  La2  9  0.01  0.5  0.74  1.0
  La  La3  3  0.0  0.0  0.75  1.0

Na Sr La La La La
NaSrLa4 crystallizes in the trigonal R3m space group. Na(1) is bonded in a 3-coordinate geometry to one La(2) and three equivalent La(1) atoms. The Na(1)-La(2) bond length is 4.34 Å. All Na(1)-La(1) bond lengths are 2.40 Å. Sr(1) is bonded in a 3-coordinate geometry to one La(2) and three equivalent La(1) atoms. The Sr(1)-La(2) bond length is 4.38 Å. All Sr(1)-La(1) bond lengths are 2.58 Å. There are two inequivalent La sites. In the first La site, La(2) is bonded to one Na(1), one Sr(1), and six equivalent La(1) atoms to form corner-sharing LaNaSrLa6 hexagonal bipyramids. All La(2)-La(1) bond lengths are 3.54 Å. In the second La site, La(1) is bonded in a linear geometry to one Na(1), one Sr(1), and two equivalent La(2) atoms.