data_AlAsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAsCl2
_chemical_formula_sum   'Al1 As1 Cl2'
_cell_volume   86.5
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.07  0.0  0.0  1.0
  Cl  Cl2  1  0.07  0.65  0.14  1.0
  Cl  Cl3  1  0.07  0.35  0.14  1.0

data_AlAsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   93.93
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAsCl2
_chemical_formula_sum   'Al1 As1 Cl2'
_cell_volume   86.5
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  As  As1  1  -0.0  0.07  0.0  1.0
  Cl  Cl2  1  0.14  0.07  0.35  1.0
  Cl  Cl3  1  0.14  0.07  0.65  1.0

Al As Cl Cl
Al As Cl Cl 0 1 o o o 1 3 o o o 2 3 o o o 