data_SrCaAlCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaAlCr
_chemical_formula_sum   'Sr1 Ca1 Al1 Cr1'
_cell_volume   96.6
_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  Sr3  1  0.46  0.46  0.46  1.0
  Ca  Ca1  1  0.64  0.64  0.64  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.82  0.82  0.82  1.0

data_SrCaAlCr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   12.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrCaAlCr
_chemical_formula_sum   'Sr3 Ca3 Al3 Cr3'
_cell_volume   289.79
_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  0.54  1.0
  Ca  Ca1  3  0.0  0.0  0.36  1.0
  Al  Al2  3  0.0  0.0  0.0  1.0
  Cr  Cr3  3  0.0  0.0  0.18  1.0

Sr Ca Al Cr
SrCaCrAl crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 7-coordinate geometry to one Ca(1), three equivalent Cr(1), and three equivalent Al(1) atoms. The Sr(1)-Ca(1) bond length is 2.26 Å. All Sr(1)-Cr(1) bond lengths are 2.99 Å. All Sr(1)-Al(1) bond lengths are 3.39 Å. Ca(1) is bonded to one Sr(1), one Cr(1), and three equivalent Al(1) atoms to form distorted CaSrAl3Cr trigonal bipyramids that share corners with six equivalent Ca(1)SrAl3Cr trigonal bipyramids and edges with three equivalent Cr(1)Sr3CaAl trigonal bipyramids. The Ca(1)-Cr(1) bond length is 2.26 Å. All Ca(1)-Al(1) bond lengths are 2.99 Å. Cr(1) is bonded to three equivalent Sr(1), one Ca(1), and one Al(1) atom to form distorted CrSr3CaAl trigonal bipyramids that share corners with six equivalent Cr(1)Sr3CaAl trigonal bipyramids and edges with three equivalent Ca(1)SrAl3Cr trigonal bipyramids. The Cr(1)-Al(1) bond length is 2.26 Å. Al(1) is bonded in a 7-coordinate geometry to three equivalent Sr(1), three equivalent Ca(1), and one Cr(1) atom.