data_BaMgGaPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgGaPt
_chemical_formula_sum   'Ba1 Mg1 Ga1 Pt1'
_cell_volume   99.0
_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  0.67  0.67  0.67  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.84  0.84  0.84  1.0
  Pt  Pt3  1  0.51  0.51  0.51  1.0

data_BaMgGaPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaMgGaPt
_chemical_formula_sum   'Ba3 Mg3 Ga3 Pt3'
_cell_volume   296.99
_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  0.33  1.0
  Mg  Mg1  3  0.0  0.0  0.0  1.0
  Ga  Ga2  3  0.0  0.0  0.16  1.0
  Pt  Pt3  3  0.0  0.0  0.49  1.0

Ba Mg Ga Pt
Ba Mg Ga Pt 0 3 o o o 0 2 o o o 1 2 - - - 
BaMgPtGa crystallizes in the trigonal R3m space group. Ba(1) is bonded in a distorted linear geometry to three equivalent Mg(1), one Pt(1), and one Ga(1) atom. All Ba(1)-Mg(1) bond lengths are 3.00 Å. The Ba(1)-Pt(1) bond length is 2.09 Å. The Ba(1)-Ga(1) bond length is 2.09 Å. Mg(1) is bonded to three equivalent Ba(1) and one Ga(1) atom to form distorted MgBa3Ga trigonal pyramids that share corners with three equivalent Ga(1)BaMgPt3 trigonal bipyramids and corners with six equivalent Mg(1)Ba3Ga trigonal pyramids. The Mg(1)-Ga(1) bond length is 2.09 Å. Pt(1) is bonded in a distorted single-bond geometry to one Ba(1) and three equivalent Ga(1) atoms. All Pt(1)-Ga(1) bond lengths are 3.00 Å. Ga(1) is bonded to one Ba(1), one Mg(1), and three equivalent Pt(1) atoms to form distorted GaBaMgPt3 trigonal bipyramids that share corners with six equivalent Ga(1)BaMgPt3 trigonal bipyramids and corners with three equivalent Mg(1)Ba3Ga trigonal pyramids.