data_LaHf2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   3.23
_cell_angle_alpha   104.22
_cell_angle_beta   104.22
_cell_angle_gamma   117.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHf2Ga
_chemical_formula_sum   'La1 Hf2 Ga1'
_cell_volume   94.27
_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  0.16  0.0  0.0  1.0
  Hf  Hf1  1  0.81  0.63  0.42  1.0
  Hf  Hf2  1  0.81  0.37  0.42  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_LaHf2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.56
_cell_length_c   6.13
_cell_angle_alpha   116.32
_cell_angle_beta   104.22
_cell_angle_gamma   92.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHf2Ga
_chemical_formula_sum   'La1 Hf2 Ga1'
_cell_volume   94.27
_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  -0.0  0.0  0.16  1.0
  Hf  Hf1  1  0.05  0.63  0.44  1.0
  Hf  Hf2  1  0.79  0.37  0.18  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

La Hf Hf Ga
La Hf Hf Ga 0 3 o o o 1 2 o o o 
LaHf2Ga crystallizes in the triclinic P1 space group. La(1) is bonded in a single-bond geometry to one Hf(1), one Hf(2), and one Ga(1) atom. The La(1)-Hf(1) bond length is 2.16 Å. The La(1)-Hf(2) bond length is 3.20 Å. The La(1)-Ga(1) bond length is 0.99 Å. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 4-coordinate geometry to one La(1), one Hf(2), and two equivalent Ga(1) atoms. The Hf(1)-Hf(2) bond length is 1.56 Å. There is one shorter (2.10 Å) and one longer (2.86 Å) Hf(1)-Ga(1) bond length. In the second Hf site, Hf(2) is bonded in a 3-coordinate geometry to one La(1), one Hf(1), and one Ga(1) atom. The Hf(2)-Ga(1) bond length is 3.18 Å. Ga(1) is bonded in a single-bond geometry to one La(1), one Hf(2), and two equivalent Hf(1) atoms.