data_MnGaFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   3.89
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGaFe
_chemical_formula_sum   'Mn1 Ga1 Fe1'
_cell_volume   41.61
_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
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.75  0.75  0.75  1.0
  Fe  Fe0  1  0.13  0.13  0.13  1.0

data_MnGaFe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   9.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnGaFe
_chemical_formula_sum   'Mn3 Ga3 Fe3'
_cell_volume   124.83
_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
  Mn  Mn0  3  0.0  0.0  0.0  1.0
  Ga  Ga1  3  0.0  0.0  0.25  1.0
  Fe  Fe2  3  0.0  0.0  0.87  1.0

Mn Ga Fe
Mn Ga Fe 0 2 o o o 0 1 - o - 0 1 o - - 0 1 - - o 0 1 - - - 1 2 o + + 1 2 + o + 1 2 + + o 
FeMnGa crystallizes in the trigonal R3m space group. Mn(1) is bonded in a single-bond geometry to one Fe(1) and four equivalent Ga(1) atoms. The Mn(1)-Fe(1) bond length is 1.20 Å. All Mn(1)-Ga(1) bond lengths are 2.38 Å. Fe(1) is bonded in a single-bond geometry to one Mn(1) and three equivalent Ga(1) atoms. All Fe(1)-Ga(1) bond lengths are 2.28 Å. Ga(1) is bonded to four equivalent Mn(1) and three equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing GaMn4Fe3 hexagonal pyramids.