data_LiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   58.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAs2
_chemical_formula_sum   'Li2 As4'
_cell_volume   119.55
_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  Li4  1  0.6  0.39  0.27  1.0
  Li  Li5  1  0.6  0.61  0.82  1.0
  As  As0  1  0.48  0.72  0.27  1.0
  As  As1  1  0.72  0.28  0.82  1.0
  As  As2  1  0.72  0.72  0.27  1.0
  As  As3  1  0.48  0.28  0.82  1.0

data_LiAs2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.09
_cell_length_b   5.1
_cell_length_c   5.26
_cell_angle_alpha   119.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiAs2
_chemical_formula_sum   'Li2 As4'
_cell_volume   119.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.27  0.61  0.61  1.0
  As  As1  2  0.27  0.28  0.16  1.0
  As  As2  2  0.27  0.28  0.4  1.0

Li Li As As As As
Li Li As As As As 0 2 o o o 1 3 o o o 2 4 o o o 3 5 o o o 