data_NaAsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   4.14
_cell_length_c   6.62
_cell_angle_alpha   90.0
_cell_angle_beta   95.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAsCl2
_chemical_formula_sum   'Na1 As1 Cl2'
_cell_volume   95.18
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.43  0.0  0.3  1.0
  Cl  Cl1  1  0.56  0.07  0.97  1.0
  Cl  Cl2  1  0.3  0.07  0.63  1.0

data_NaAsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.14
_cell_length_c   6.62
_cell_angle_alpha   90.0
_cell_angle_beta   95.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAsCl2
_chemical_formula_sum   'Na1 As1 Cl2'
_cell_volume   95.18
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.43  0.0  0.3  1.0
  Cl  Cl2  1  0.3  0.07  0.63  1.0
  Cl  Cl3  1  0.56  0.07  0.97  1.0

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