data_YMn2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   4.11
_cell_angle_alpha   113.0
_cell_angle_beta   113.0
_cell_angle_gamma   46.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMn2Ga
_chemical_formula_sum   'Y1 Mn2 Ga1'
_cell_volume   70.48
_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
  Y  Y3  1  0.87  0.0  0.87  1.0
  Mn  Mn1  1  0.63  0.0  0.67  1.0
  Mn  Mn2  1  0.65  0.0  0.9  1.0
  Ga  Ga0  1  0.07  0.0  0.87  1.0

data_YMn2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   4.11
_cell_length_c   5.13
_cell_angle_alpha   113.0
_cell_angle_beta   113.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMn2Ga
_chemical_formula_sum   'Y1 Mn2 Ga1'
_cell_volume   70.48
_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
  Y  Y0  1  0.0  0.87  0.87  1.0
  Mn  Mn1  1  0.0  0.67  0.63  1.0
  Mn  Mn2  1  0.0  0.9  0.65  1.0
  Ga  Ga3  1  0.0  0.87  0.07  1.0

Y Mn Mn Ga
Y Mn Mn Ga 0 1 o o o 0 2 o o o 0 3 + o o 1 2 o o o 
Mn2YGa crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mn2YGa cluster. Y(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Ga(1) atom. The Y(1)-Mn(1) bond length is 1.20 Å. The Y(1)-Mn(2) bond length is 1.19 Å. The Y(1)-Ga(1) bond length is 1.02 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 2-coordinate geometry to one Y(1) and one Mn(2) atom. The Mn(1)-Mn(2) bond length is 0.91 Å. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to one Y(1) and one Mn(1) atom. Ga(1) is bonded in a single-bond geometry to one Y(1) atom.