data_BaMgCrGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgCrGa
_chemical_formula_sum   'Ba1 Mg1 Cr1 Ga1'
_cell_volume   97.84
_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
  Ba  Ba0  1  0.83  0.83  0.83  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.49  0.49  0.49  1.0
  Ga  Ga2  1  0.66  0.66  0.66  1.0

data_BaMgCrGa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaMgCrGa
_chemical_formula_sum   'Ba3 Mg3 Cr3 Ga3'
_cell_volume   293.51
_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
  Ba  Ba0  3  0.0  0.0  0.17  1.0
  Mg  Mg1  3  0.0  0.0  0.0  1.0
  Cr  Cr2  3  0.0  0.0  0.51  1.0
  Ga  Ga3  3  0.0  0.0  0.34  1.0

Ba Mg Cr Ga
Ba Mg Cr Ga 0 3 o o o 0 1 + + + 2 3 o o o 
BaMgCrGa crystallizes in the trigonal R3m space group. Ba(1) is bonded to one Mg(1), three equivalent Cr(1), and one Ga(1) atom to form distorted BaMgCr3Ga trigonal bipyramids that share corners with six equivalent Ba(1)MgCr3Ga trigonal bipyramids,  a cornercorner with one Cr(1)Ba3Ga trigonal pyramid, corners with three equivalent Mg(1)BaGa3 trigonal pyramids, and edges with three equivalent Ga(1)BaMg3Cr trigonal bipyramids. The Ba(1)-Mg(1) bond length is 2.17 Å. All Ba(1)-Cr(1) bond lengths are 2.99 Å. The Ba(1)-Ga(1) bond length is 2.17 Å. Mg(1) is bonded to one Ba(1) and three equivalent Ga(1) atoms to form distorted MgBaGa3 trigonal pyramids that share  a cornercorner with one Ga(1)BaMg3Cr trigonal bipyramid, corners with three equivalent Ba(1)MgCr3Ga trigonal bipyramids, corners with six equivalent Mg(1)BaGa3 trigonal pyramids, and edges with three equivalent Cr(1)Ba3Ga trigonal pyramids. All Mg(1)-Ga(1) bond lengths are 2.99 Å. Cr(1) is bonded to three equivalent Ba(1) and one Ga(1) atom to form CrBa3Ga trigonal pyramids that share  a cornercorner with one Ba(1)MgCr3Ga trigonal bipyramid, corners with three equivalent Ga(1)BaMg3Cr trigonal bipyramids, corners with six equivalent Cr(1)Ba3Ga trigonal pyramids, and edges with three equivalent Mg(1)BaGa3 trigonal pyramids. The Cr(1)-Ga(1) bond length is 2.17 Å. Ga(1) is bonded to one Ba(1), three equivalent Mg(1), and one Cr(1) atom to form distorted GaBaMg3Cr trigonal bipyramids that share corners with six equivalent Ga(1)BaMg3Cr trigonal bipyramids,  a cornercorner with one Mg(1)BaGa3 trigonal pyramid, corners with three equivalent Cr(1)Ba3Ga trigonal pyramids, and edges with three equivalent Ba(1)MgCr3Ga trigonal bipyramids.