data_LiAs2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44
_cell_length_b   8.44
_cell_length_c   3.6
_cell_angle_alpha   77.74
_cell_angle_beta   77.63
_cell_angle_gamma   24.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAs2Cl
_chemical_formula_sum   'Li1 As2 Cl1'
_cell_volume   104.27
_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
  As  As0  1  0.54  0.28  0.02  1.0
  As  As1  1  0.0  0.28  0.02  1.0
  Cl  Cl2  1  0.54  0.55  0.05  1.0

data_LiAs2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   8.44
_cell_angle_alpha   102.26
_cell_angle_beta   102.26
_cell_angle_gamma   90.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAs2Cl
_chemical_formula_sum   'Li1 As2 Cl1'
_cell_volume   104.27
_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
  As  As1  1  0.28  0.3  0.28  1.0
  As  As2  1  0.28  0.84  0.82  1.0
  Cl  Cl3  1  0.55  0.14  0.09  1.0

Li As As Cl
Li As As Cl 0 1 - o o 0 3 o - o 0 3 - o o 0 2 o o o 1 3 o o o 2 3 - o o 