data_YTiCrGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTiCrGa
_chemical_formula_sum   'Y1 Ti1 Cr1 Ga1'
_cell_volume   73.76
_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
  Y  Y3  1  0.99  0.99  0.99  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.33  0.33  0.33  1.0
  Ga  Ga1  1  0.66  0.66  0.66  1.0

data_YTiCrGa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   11.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YTiCrGa
_chemical_formula_sum   'Y3 Ti3 Cr3 Ga3'
_cell_volume   221.27
_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
  Y  Y0  3  0.0  0.0  0.01  1.0
  Ti  Ti1  3  0.0  0.0  0.0  1.0
  Cr  Cr2  3  0.0  0.0  0.67  1.0
  Ga  Ga3  3  0.0  0.0  0.34  1.0

Y Ti Cr Ga
YTiCrGa crystallizes in the trigonal R3m space group. Y(1) is bonded in a single-bond geometry to one Ti(1), three equivalent Cr(1), and four equivalent Ga(1) atoms. The Y(1)-Ti(1) bond length is 0.08 Å. All Y(1)-Cr(1) bond lengths are 2.72 Å. There are three shorter (2.72 Å) and one longer (3.79 Å) Y(1)-Ga(1) bond length. Ti(1) is bonded in a single-bond geometry to one Y(1), three equivalent Cr(1), and three equivalent Ga(1) atoms. All Ti(1)-Cr(1) bond lengths are 2.72 Å. All Ti(1)-Ga(1) bond lengths are 2.72 Å. Cr(1) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Ti(1), and three equivalent Ga(1) atoms. All Cr(1)-Ga(1) bond lengths are 2.72 Å. Ga(1) is bonded in a distorted q6 geometry to four equivalent Y(1), three equivalent Ti(1), and three equivalent Cr(1) atoms.