data_LaGa2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   7.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa2Ir
_chemical_formula_sum   'La1 Ga2 Ir1'
_cell_volume   77.43
_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  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.64  0.64  0.23  1.0
  Ga  Ga1  1  0.64  0.64  0.96  1.0
  Ir  Ir2  1  0.0  0.0  0.59  1.0

data_LaGa2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   7.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaGa2Ir
_chemical_formula_sum   'La2 Ga4 Ir2'
_cell_volume   154.86
_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  0.0  0.0  0.0  1.0
  Ga  Ga1  2  0.14  0.5  0.23  1.0
  Ga  Ga2  2  0.14  0.5  0.96  1.0
  Ir  Ir3  2  0.0  0.0  0.59  1.0

La Ga Ga Ir
La Ga Ga Ir 0 2 - - - 0 3 o o - 1 2 o o - 1 3 + + o 1 3 + o o 1 3 o + o 2 3 + + o 2 3 + o o 2 3 o + o 3 3 + o o 3 3 o + o 
LaIrGa2 crystallizes in the monoclinic Cm space group. La(1) is bonded in a 1-coordinate geometry to one Ir(1), one Ga(2), and three equivalent Ga(1) atoms. The La(1)-Ir(1) bond length is 2.93 Å. The La(1)-Ga(2) bond length is 1.69 Å. There is one shorter (2.33 Å) and two longer (2.91 Å) La(1)-Ga(1) bond lengths. Ir(1) is bonded in a 7-coordinate geometry to one La(1), four equivalent Ir(1), one Ga(1), and one Ga(2) atom. All Ir(1)-Ir(1) bond lengths are 3.28 Å. The Ir(1)-Ga(1) bond length is 3.11 Å. The Ir(1)-Ga(2) bond length is 3.11 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 5-coordinate geometry to three equivalent La(1), one Ir(1), and one Ga(2) atom. The Ga(1)-Ga(2) bond length is 1.92 Å. In the second Ga site, Ga(2) is bonded in a 1-coordinate geometry to one La(1), one Ir(1), and one Ga(1) atom.