data_La2MgGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53
_cell_length_b   3.53
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MgGa
_chemical_formula_sum   'La2 Mg1 Ga1'
_cell_volume   117.87
_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  0.0  0.0  0.53  1.0
  La  La2  1  0.44  0.0  0.94  1.0
  Mg  Mg3  1  0.0  0.0  0.24  1.0
  Ga  Ga0  1  0.44  0.0  0.53  1.0

data_La2MgGa
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.53
_cell_length_b   3.53
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   La2MgGa
_chemical_formula_sum   'La2 Mg1 Ga1'
_cell_volume   117.96
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  La0  1  0.0  0.0  0.53  1.0
  La  La1  1  0.44  0.0  0.94  1.0
  Mg  Mg2  1  0.0  0.0  0.24  1.0
  Ga  Ga3  1  0.44  0.0  0.53  1.0

La La Mg Ga
La La Mg Ga 0 3 o o o 0 2 o o o 1 1 o + o 1 1 + o o 1 2 o o + 1 2 + o + 1 3 o o o 2 2 o + o 2 2 + o o 2 3 - o o 2 3 o o o 
MgLa2Ga crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 4-coordinate geometry to one La(1), two equivalent La(2), and one Ga(1) atom. The Mg(1)-La(1) bond length is 2.75 Å. There is one shorter (3.23 Å) and one longer (3.44 Å) Mg(1)-La(2) bond length. The Mg(1)-Ga(1) bond length is 3.14 Å. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted linear geometry to one Mg(1) and two equivalent Ga(1) atoms. There is one shorter (1.56 Å) and one longer (1.97 Å) La(1)-Ga(1) bond length. In the second La site, La(2) is bonded in a 7-coordinate geometry to two equivalent Mg(1), four equivalent La(2), and one Ga(1) atom. All La(2)-La(2) bond lengths are 3.53 Å. The La(2)-Ga(1) bond length is 3.94 Å. Ga(1) is bonded in a linear geometry to one Mg(1), one La(2), and two equivalent La(1) atoms.