data_LiAs2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   8.8
_cell_angle_alpha   99.8
_cell_angle_beta   99.8
_cell_angle_gamma   60.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAs2Cl
_chemical_formula_sum   'Li1 As2 Cl1'
_cell_volume   103.74
_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  0.19  0.0  0.72  1.0
  As  As0  1  0.12  0.0  0.34  1.0
  As  As1  1  0.42  0.0  0.7  1.0
  Cl  Cl2  1  0.34  0.0  0.17  1.0

data_LiAs2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   8.8
_cell_angle_alpha   80.2
_cell_angle_beta   80.2
_cell_angle_gamma   60.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAs2Cl
_chemical_formula_sum   'Li1 As2 Cl1'
_cell_volume   103.74
_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  0.81  0.0  0.72  1.0
  As  As1  1  0.58  0.0  0.7  1.0
  As  As2  1  0.88  0.0  0.34  1.0
  Cl  Cl3  1  0.66  0.0  0.17  1.0

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