data_MnGa2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   2.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGa2Cu
_chemical_formula_sum   'Mn1 Ga2 Cu1'
_cell_volume   54.13
_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  Mn3  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.38  0.19  0.35  1.0
  Ga  Ga2  1  0.38  0.81  0.35  1.0
  Cu  Cu0  1  0.77  0.0  0.0  1.0

data_MnGa2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   105.1
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGa2Cu
_chemical_formula_sum   'Mn1 Ga2 Cu1'
_cell_volume   54.13
_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  Mn0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.35  0.38  0.19  1.0
  Ga  Ga2  1  0.35  0.38  0.81  1.0
  Cu  Cu3  1  0.0  0.77  0.0  1.0

Mn Ga Ga Cu
MnCuGa2 crystallizes in the triclinic P1 space group. Mn(1) is bonded in a distorted single-bond geometry to one Cu(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. The Mn(1)-Cu(1) bond length is 1.06 Å. There is one shorter (1.98 Å) and one longer (2.47 Å) Mn(1)-Ga(1) bond length. There is one shorter (2.35 Å) and one longer (2.77 Å) Mn(1)-Ga(2) bond length. Cu(1) is bonded in a distorted single-bond geometry to one Mn(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. There is one shorter (2.35 Å) and one longer (2.77 Å) Cu(1)-Ga(1) bond length. There is one shorter (1.98 Å) and one longer (2.47 Å) Cu(1)-Ga(2) bond length. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 8-coordinate geometry to two equivalent Mn(1), two equivalent Cu(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. Both Ga(1)-Ga(1) bond lengths are 2.71 Å. There is one shorter (1.76 Å) and one longer (2.79 Å) Ga(1)-Ga(2) bond length. In the second Ga site, Ga(2) is bonded in a 8-coordinate geometry to two equivalent Mn(1), two equivalent Cu(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. Both Ga(2)-Ga(2) bond lengths are 2.71 Å.