data_LaGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   6.05
_cell_angle_alpha   148.9
_cell_angle_beta   63.76
_cell_angle_gamma   125.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa3
_chemical_formula_sum   'La1 Ga3'
_cell_volume   91.79
_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  0.14  0.9  1.0
  Ga  Ga0  1  0.0  0.63  0.76  1.0
  Ga  Ga1  1  0.62  0.51  0.01  1.0
  Ga  Ga2  1  0.0  0.0  0.92  1.0

data_LaGa3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.51
_cell_length_c   6.05
_cell_angle_alpha   117.07
_cell_angle_beta   105.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa3
_chemical_formula_sum   'La1 Ga3'
_cell_volume   91.79
_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  La0  1  0.9  0.76  0.76  1.0
  Ga  Ga1  1  0.01  0.5  0.12  1.0
  Ga  Ga2  1  0.76  0.13  0.13  1.0
  Ga  Ga3  1  0.92  0.92  0.92  1.0

La Ga Ga Ga
LaGa3 crystallizes in the triclinic P1 space group. La(1) is bonded in a single-bond geometry to one Ga(3) and three equivalent Ga(2) atoms. The La(1)-Ga(3) bond length is 0.95 Å. There are a spread of La(1)-Ga(2) bond distances ranging from 3.07-3.78 Å. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 1-coordinate geometry to one Ga(2) and one Ga(3) atom. The Ga(1)-Ga(2) bond length is 2.21 Å. The Ga(1)-Ga(3) bond length is 1.50 Å. In the second Ga site, Ga(2) is bonded in a 4-coordinate geometry to three equivalent La(1) and one Ga(1) atom. In the third Ga site, Ga(3) is bonded in a distorted single-bond geometry to one La(1) and one Ga(1) atom.