data_LiAlAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   139.98
_cell_angle_beta   139.98
_cell_angle_gamma   57.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlAs2
_chemical_formula_sum   'Li1 Al1 As2'
_cell_volume   69.45
_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  Li3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.89  0.0  0.42  1.0
  As  As1  1  0.0  0.0  0.84  1.0
  As  As2  1  0.0  0.89  0.42  1.0

data_LiAlAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   5.53
_cell_angle_alpha   110.01
_cell_angle_beta   110.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlAs2
_chemical_formula_sum   'Li1 Al1 As2'
_cell_volume   69.45
_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  0.0  0.0  0.0  1.0
  Al  Al1  1  0.58  0.0  0.47  1.0
  As  As2  1  0.16  0.0  0.16  1.0
  As  As3  1  0.47  0.89  0.47  1.0

Li Al As As