data_LiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   136.17
_cell_angle_beta   136.17
_cell_angle_gamma   63.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAs
_chemical_formula_sum   'Li2 As2'
_cell_volume   66.54
_cell_formula_units_Z   2
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  0.0  0.94  0.21  1.0
  Li  Li3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.94  0.0  0.21  1.0
  As  As1  1  0.0  0.0  0.42  1.0

data_LiAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   5.2
_cell_angle_alpha   111.92
_cell_angle_beta   111.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAs
_chemical_formula_sum   'Li2 As2'
_cell_volume   66.54
_cell_formula_units_Z   2
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
  Li  Li1  1  0.27  0.21  0.27  1.0
  As  As2  1  0.21  0.27  0.27  1.0
  As  As3  1  0.42  0.42  0.42  1.0

Li Li As As