data_LaMn2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2Ga
_chemical_formula_sum   'La1 Mn2 Ga1'
_cell_volume   82.21
_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
  La  La1  1  0.18  0.18  0.18  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.73  0.73  0.73  1.0
  Ga  Ga0  1  0.45  0.45  0.45  1.0

data_LaMn2Ga
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   11.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaMn2Ga
_chemical_formula_sum   'La3 Mn6 Ga3'
_cell_volume   246.62
_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
  La  La0  3  0.0  0.0  0.82  1.0
  Mn  Mn1  3  0.0  0.0  0.0  1.0
  Mn  Mn2  3  0.0  0.0  0.27  1.0
  Ga  Ga3  3  0.0  0.0  0.55  1.0

La Mn Mn Ga
LaMn2Ga crystallizes in the trigonal R3m space group. La(1) is bonded in a distorted single-bond geometry to one Mn(1), six equivalent Mn(2), and four equivalent Ga(1) atoms. The La(1)-Mn(1) bond length is 2.11 Å. There are three shorter (3.15 Å) and three longer (3.82 Å) La(1)-Mn(2) bond lengths. There are three shorter (2.90 Å) and one longer (3.28 Å) La(1)-Ga(1) bond length. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to one La(1), four equivalent Mn(2), and three equivalent Ga(1) atoms. There are three shorter (2.90 Å) and one longer (3.28 Å) Mn(1)-Mn(2) bond length. All Mn(1)-Ga(1) bond lengths are 3.15 Å. In the second Mn site, Mn(2) is bonded in a 14-coordinate geometry to six equivalent La(1), four equivalent Mn(1), and four equivalent Ga(1) atoms. There are three shorter (2.90 Å) and one longer (3.28 Å) Mn(2)-Ga(1) bond length. Ga(1) is bonded in a 11-coordinate geometry to four equivalent La(1), three equivalent Mn(1), and four equivalent Mn(2) atoms.