data_SrYCrGa
_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   SrYCrGa
_chemical_formula_sum   'Sr1 Y1 Cr1 Ga1'
_cell_volume   96.49
_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  0.82  0.82  0.82  1.0
  Y  Y3  1  0.64  0.64  0.64  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.46  0.46  0.46  1.0

data_SrYCrGa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   12.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrYCrGa
_chemical_formula_sum   'Sr3 Y3 Cr3 Ga3'
_cell_volume   289.47
_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  0.18  1.0
  Y  Y1  3  0.0  0.0  0.36  1.0
  Cr  Cr2  3  0.0  0.0  0.0  1.0
  Ga  Ga3  3  0.0  0.0  0.54  1.0

Sr Y Cr Ga
Sr Y Cr Ga 0 1 o o o 0 2 + + + 1 3 o o o 
SrYCrGa crystallizes in the trigonal R3m space group. Sr(1) is bonded to one Y(1), one Cr(1), and three equivalent Ga(1) atoms to form distorted SrYCrGa3 trigonal bipyramids that share corners with six equivalent Sr(1)YCrGa3 trigonal bipyramids and  a cornercorner with one Ga(1)Sr3Y trigonal pyramid. The Sr(1)-Y(1) bond length is 2.27 Å. The Sr(1)-Cr(1) bond length is 2.27 Å. All Sr(1)-Ga(1) bond lengths are 2.99 Å. Y(1) is bonded in a 5-coordinate geometry to one Sr(1), three equivalent Cr(1), and one Ga(1) atom. All Y(1)-Cr(1) bond lengths are 2.99 Å. The Y(1)-Ga(1) bond length is 2.27 Å. Cr(1) is bonded in a distorted single-bond geometry to one Sr(1) and three equivalent Y(1) atoms. Ga(1) is bonded to three equivalent Sr(1) and one Y(1) atom to form distorted GaSr3Y trigonal pyramids that share  a cornercorner with one Sr(1)YCrGa3 trigonal bipyramid and corners with six equivalent Ga(1)Sr3Y trigonal pyramids.