data_Sr2CaLa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaLa
_chemical_formula_sum   'Sr2 Ca1 La1'
_cell_volume   183.19
_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  Sr2  1  0.51  0.51  0.51  1.0
  Sr  Sr3  1  0.76  0.76  0.76  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.25  0.25  0.25  1.0

data_Sr2CaLa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   15.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr2CaLa
_chemical_formula_sum   'Sr6 Ca3 La3'
_cell_volume   549.57
_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  0.24  1.0
  Sr  Sr1  3  0.0  0.0  0.49  1.0
  Ca  Ca2  3  0.0  0.0  0.0  1.0
  La  La3  3  0.0  0.0  0.75  1.0

Sr Sr Ca La
Sr2CaLa crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted body-centered cubic geometry to four equivalent Sr(2) and four equivalent La(1) atoms. There are three shorter (3.88 Å) and one longer (3.96 Å) Sr(1)-Sr(2) bond length. There are three shorter (3.88 Å) and one longer (3.96 Å) Sr(1)-La(1) bond length. In the second Sr site, Sr(2) is bonded in a 14-coordinate geometry to four equivalent Sr(1), four equivalent Ca(1), and six equivalent La(1) atoms. There is one shorter (3.72 Å) and three longer (3.97 Å) Sr(2)-Ca(1) bond lengths. There are three shorter (4.44 Å) and three longer (4.58 Å) Sr(2)-La(1) bond lengths. Ca(1) is bonded in a body-centered cubic geometry to four equivalent Sr(2) and four equivalent La(1) atoms. There are three shorter (3.88 Å) and one longer (3.96 Å) Ca(1)-La(1) bond length. La(1) is bonded in a distorted body-centered cubic geometry to four equivalent Sr(1), six equivalent Sr(2), and four equivalent Ca(1) atoms.