data_NaAsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   151.62
_cell_angle_beta   151.62
_cell_angle_gamma   40.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAsCl
_chemical_formula_sum   'Na1 As1 Cl1'
_cell_volume   68.4
_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  Na2  1  0.0  0.0  0.8  1.0
  As  As0  1  0.0  0.0  0.55  1.0
  Cl  Cl1  1  0.0  0.0  0.86  1.0

data_NaAsCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   110.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaAsCl
_chemical_formula_sum   'Na2 As2 Cl2'
_cell_volume   136.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.3  0.5  0.8  1.0
  As  As1  2  0.05  0.5  0.55  1.0
  Cl  Cl2  2  0.36  0.5  0.86  1.0

Na As Cl