[CIF]
data_Li2TiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63973268
_cell_length_b   5.63973268
_cell_length_c   5.63973268
_cell_angle_alpha   145.67346309
_cell_angle_beta   138.62725554
_cell_angle_gamma   54.81188684
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiAs
_chemical_formula_sum   'Li2 Ti1 As1'
_cell_volume   66.40222051
_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
  As  As0  1  0.00000000  0.00000000  5.00677219  1
  Li  Li1  1  0.00000000  1.99224876  2.22212566  1
  Li  Li2  1  1.66426015  0.00000000  2.78464653  1
  Ti  Ti3  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
