data_LaGaIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   7.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGaIr2
_chemical_formula_sum   'La1 Ga1 Ir2'
_cell_volume   74.23
_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  La3  1  0.55  0.55  0.8  1.0
  Ga  Ga0  1  0.0  0.0  0.23  1.0
  Ir  Ir1  1  0.55  0.55  0.66  1.0
  Ir  Ir2  1  0.0  0.0  0.66  1.0

data_LaGaIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   7.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaGaIr2
_chemical_formula_sum   'La2 Ga2 Ir4'
_cell_volume   148.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.05  0.5  0.8  1.0
  Ga  Ga1  2  0.0  0.0  0.23  1.0
  Ir  Ir2  2  0.0  0.0  0.66  1.0
  Ir  Ir3  2  0.05  0.5  0.66  1.0

La Ga Ir Ir
LaIr2Ga crystallizes in the monoclinic Cm space group. La(1) is bonded in a single-bond geometry to one Ir(1), four equivalent Ir(2), and three equivalent Ga(1) atoms. The La(1)-Ir(1) bond length is 1.13 Å. There are a spread of La(1)-Ir(2) bond distances ranging from 2.27-2.64 Å. There is one shorter (3.84 Å) and two longer (3.96 Å) La(1)-Ga(1) bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a single-bond geometry to one La(1) and four equivalent Ir(2) atoms. There are a spread of Ir(1)-Ir(2) bond distances ranging from 1.98-2.40 Å. In the second Ir site, Ir(2) is bonded in a 9-coordinate geometry to four equivalent La(1), four equivalent Ir(1), and one Ga(1) atom. The Ir(2)-Ga(1) bond length is 3.35 Å. Ga(1) is bonded in a 8-coordinate geometry to three equivalent La(1), one Ir(2), and four equivalent Ga(1) atoms. All Ga(1)-Ga(1) bond lengths are 3.10 Å.