data_LiTiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   4.53
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   103.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiAs2
_chemical_formula_sum   'Li1 Ti1 As2'
_cell_volume   66.97
_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
  Li  Li2  1  0.75  0.0  0.16  1.0
  Ti  Ti3  1  0.03  0.26  0.19  1.0
  As  As0  1  0.54  0.0  0.69  1.0
  As  As1  1  0.19  0.26  0.9  1.0

data_LiTiAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.53
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   103.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiAs2
_chemical_formula_sum   'Li1 Ti1 As2'
_cell_volume   66.97
_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
  Li  Li0  1  0.75  0.0  0.16  1.0
  Ti  Ti1  1  0.03  0.26  0.19  1.0
  As  As2  1  0.19  0.26  0.9  1.0
  As  As3  1  0.54  0.0  0.69  1.0

Li Ti As As