data_SrMn4Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMn4Ga
_chemical_formula_sum   'Sr1 Mn4 Ga1'
_cell_volume   88.9
_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  Sr5  1  0.31  0.31  0.31  1.0
  Mn  Mn1  1  0.45  0.45  0.64  1.0
  Mn  Mn2  1  0.45  0.64  0.45  1.0
  Mn  Mn3  1  0.64  0.45  0.45  1.0
  Mn  Mn4  1  0.64  0.64  0.64  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_SrMn4Ga
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   12.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrMn4Ga
_chemical_formula_sum   'Sr3 Mn12 Ga3'
_cell_volume   266.69
_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  0.69  1.0
  Mn  Mn1  9  0.06  0.12  0.49  1.0
  Mn  Mn2  3  0.0  0.0  0.36  1.0
  Ga  Ga3  3  0.0  0.0  0.0  1.0

Sr Mn Mn Mn Mn Ga
Sr Mn Mn Mn Mn Ga 0 2 o - o 0 2 o o o 0 5 o o + 0 5 o + o 0 5 + o o 0 3 - o o 0 3 o o o 0 4 - o o 0 4 o - o 0 4 o o - 0 1 o o - 0 1 o o o 1 3 o o o 1 2 o o o 1 4 o o o 1 5 + o + 1 5 o + + 1 5 o o + 2 3 o o o 2 4 o o o 2 5 + + o 2 5 o + + 2 5 o + o 3 4 o o o 3 5 + + o 3 5 + o + 3 5 + o o 4 5 + + o 4 5 + o + 4 5 o + + 
SrMn4Ga crystallizes in the trigonal R3m space group. Sr(1) is bonded to three equivalent Mn(2), six equivalent Mn(1), and three equivalent Ga(1) atoms to form a mixture of corner and edge-sharing SrMn9Ga3 cuboctahedra. All Sr(1)-Mn(2) bond lengths are 2.90 Å. There are three shorter (2.49 Å) and three longer (2.88 Å) Sr(1)-Mn(1) bond lengths. All Sr(1)-Ga(1) bond lengths are 2.90 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 2-coordinate geometry to two equivalent Sr(1), one Mn(2), two equivalent Mn(1), and one Ga(1) atom. The Mn(1)-Mn(2) bond length is 1.62 Å. Both Mn(1)-Mn(1) bond lengths are 0.94 Å. The Mn(1)-Ga(1) bond length is 3.21 Å. In the second Mn site, Mn(2) is bonded in a 9-coordinate geometry to three equivalent Sr(1), three equivalent Mn(1), and three equivalent Ga(1) atoms. All Mn(2)-Ga(1) bond lengths are 2.92 Å. Ga(1) is bonded in a 9-coordinate geometry to three equivalent Sr(1), three equivalent Mn(1), and three equivalent Mn(2) atoms.