data_LaGaAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   4.57
_cell_angle_alpha   113.88
_cell_angle_beta   113.88
_cell_angle_gamma   49.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGaAs2
_chemical_formula_sum   'La1 Ga1 As2'
_cell_volume   90.65
_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  0.86  0.0  0.04  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.89  0.0  0.13  1.0
  As  As1  1  0.83  0.0  0.96  1.0

data_LaGaAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.54
_cell_length_b   4.57
_cell_length_c   5.38
_cell_angle_alpha   113.88
_cell_angle_beta   114.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGaAs2
_chemical_formula_sum   'La1 Ga1 As2'
_cell_volume   90.65
_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  0.04  0.86  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.0  0.13  0.89  1.0
  As  As3  1  0.0  0.96  0.83  1.0

La Ga As As
La Ga As As 0 3 o o - 0 2 o o o 0 1 + o o 1 2 - o o 1 3 - o - 
LaGaAs2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LaGaAs2 cluster. La(1) is bonded in a distorted linear geometry to one Ga(1), one As(1), and one As(2) atom. The La(1)-Ga(1) bond length is 0.87 Å. The La(1)-As(1) bond length is 0.35 Å. The La(1)-As(2) bond length is 0.35 Å. Ga(1) is bonded in a 3-coordinate geometry to one La(1), one As(1), and one As(2) atom. The Ga(1)-As(1) bond length is 1.00 Å. The Ga(1)-As(2) bond length is 0.87 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a single-bond geometry to one La(1) and one Ga(1) atom. In the second As site, As(2) is bonded in a single-bond geometry to one La(1) and one Ga(1) atom.