data_MgGaNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGaNi2
_chemical_formula_sum   'Mg1 Ga1 Ni2'
_cell_volume   55.63
_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
  Mg  Mg1  1  0.0  0.0  0.47  1.0
  Ga  Ga0  1  0.01  0.0  0.72  1.0
  Ni  Ni2  1  0.01  0.0  0.53  1.0
  Ni  Ni3  1  0.0  0.0  0.1  1.0

data_MgGaNi2
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   MgGaNi2
_chemical_formula_sum   'Mg1 Ga1 Ni2'
_cell_volume   55.64
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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
  Mg  Mg0  1  0.0  0.0  0.47  1.0
  Ga  Ga1  1  0.0  0.0  0.72  1.0
  Ni  Ni2  1  0.0  0.0  0.1  1.0
  Ni  Ni3  1  0.0  0.0  0.53  1.0

Mg Ga Ni Ni
MgNi2Ga crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a single-bond geometry to one Ni(1) and one Ni(2) atom. The Mg(1)-Ni(1) bond length is 0.40 Å. The Mg(1)-Ni(2) bond length is 2.50 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted single-bond geometry to one Mg(1) and one Ga(1) atom. The Ni(1)-Ga(1) bond length is 1.24 Å. In the second Ni site, Ni(2) is bonded to one Mg(1), four equivalent Ni(2), and one Ga(1) atom to form a mixture of distorted edge and corner-sharing NiMgGaNi4 octahedra. The corner-sharing octahedra are not tilted. All Ni(2)-Ni(2) bond lengths are 2.87 Å. The Ni(2)-Ga(1) bond length is 2.59 Å. Ga(1) is bonded in a distorted single-bond geometry to one Ni(1) and one Ni(2) atom.