data_Na4SrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   6.78
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na4SrCl
_chemical_formula_sum   'Na4 Sr1 Cl1'
_cell_volume   220.09
_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  Na1  1  1.0  1.0  0.59  1.0
  Na  Na2  1  1.0  0.59  1.0  1.0
  Na  Na3  1  0.59  1.0  1.0  1.0
  Na  Na4  1  0.59  0.59  0.59  1.0
  Sr  Sr5  1  0.19  0.19  0.19  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Na4SrCl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   16.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Na4SrCl
_chemical_formula_sum   'Na12 Sr3 Cl3'
_cell_volume   660.26
_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  9  0.2  0.4  0.81  1.0
  Na  Na1  3  0.0  0.0  0.41  1.0
  Sr  Sr2  3  0.0  0.0  0.81  1.0
  Cl  Cl3  3  0.0  0.0  0.0  1.0

Na Na Na Na Sr Cl
Na Na Na Na Sr Cl 0 1 o o o 0 2 o o o 0 4 + + o 0 5 + + + 0 3 + o o 0 3 o + o 1 2 o o o 1 4 + o + 1 5 + + + 1 3 + o o 1 3 o o + 2 4 o + + 2 5 + + + 2 3 o + o 2 3 o o + 3 4 o o + 3 4 o + o 3 4 + o o 3 5 o + + 3 5 + o + 3 5 + + o 4 5 o o o 
Na4SrCl crystallizes in the trigonal R3m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 2-coordinate geometry to two equivalent Na(2), one Sr(1), and one Cl(1) atom. Both Na(1)-Na(2) bond lengths are 3.56 Å. The Na(1)-Sr(1) bond length is 2.32 Å. The Na(1)-Cl(1) bond length is 2.82 Å. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to six equivalent Na(1) atoms. Sr(1) is bonded in a trigonal pyramidal geometry to three equivalent Na(1) and one Cl(1) atom. The Sr(1)-Cl(1) bond length is 3.12 Å. Cl(1) is bonded in a 4-coordinate geometry to three equivalent Na(1) and one Sr(1) atom.