data_SrCaLa4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09
_cell_length_b   7.09
_cell_length_c   7.09
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaLa4
_chemical_formula_sum   'Sr1 Ca1 La4'
_cell_volume   252.02
_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
  Sr  Sr5  1  0.52  0.52  0.52  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.28  0.28  0.75  1.0
  La  La2  1  0.28  0.75  0.28  1.0
  La  La3  1  0.75  0.28  0.28  1.0
  La  La4  1  0.75  0.75  0.75  1.0

data_SrCaLa4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.09
_cell_length_b   7.09
_cell_length_c   17.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrCaLa4
_chemical_formula_sum   'Sr3 Ca3 La12'
_cell_volume   756.07
_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
  Sr  Sr0  3  0.0  0.0  0.48  1.0
  Ca  Ca1  3  0.0  0.0  -0.0  1.0
  La  La2  9  0.02  0.51  0.23  1.0
  La  La3  3  0.0  0.0  0.25  1.0

Sr Ca La La La La
Sr Ca La La La La 0 2 o o o 0 3 o o o 0 4 o o o 0 5 o o o 1 4 - o o 1 3 o - o 1 2 o o - 1 5 o - - 1 5 - o - 1 5 - - o 2 5 o - o 2 5 - o o 3 5 o o - 3 5 - o o 4 5 o o - 4 5 o - o 
SrCaLa4 crystallizes in the trigonal R3m space group. Sr(1) is bonded in a distorted rectangular see-saw-like geometry to one La(2) and three equivalent La(1) atoms. The Sr(1)-La(2) bond length is 3.91 Å. All Sr(1)-La(1) bond lengths are 2.39 Å. Ca(1) is bonded in a 3-coordinate geometry to one La(2) and three equivalent La(1) atoms. The Ca(1)-La(2) bond length is 4.43 Å. All Ca(1)-La(1) bond lengths are 2.83 Å. There are two inequivalent La sites. In the first La site, La(2) is bonded in a 8-coordinate geometry to one Sr(1), one Ca(1), and six equivalent La(1) atoms. All La(2)-La(1) bond lengths are 3.57 Å. In the second La site, La(1) is bonded in a distorted linear geometry to one Sr(1), one Ca(1), and two equivalent La(2) atoms.