data_NaAg2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   130.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAg2Cl
_chemical_formula_sum   'Na1 Ag2 Cl1'
_cell_volume   95.46
_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
  Ag  Ag0  1  0.33  0.87  0.56  1.0
  Ag  Ag1  1  0.33  0.13  0.56  1.0
  Cl  Cl2  1  0.67  0.0  0.0  1.0

data_NaAg2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.34
_cell_length_c   6.32
_cell_angle_alpha   114.98
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAg2Cl
_chemical_formula_sum   'Na1 Ag2 Cl1'
_cell_volume   95.46
_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
  Ag  Ag1  1  0.56  0.13  0.47  1.0
  Ag  Ag2  1  0.56  0.87  0.2  1.0
  Cl  Cl3  1  0.0  0.0  0.67  1.0

Na Ag Ag Cl
Na Ag Ag Cl 0 3 - o o 0 2 o o - 0 2 o o o 1 2 o + o 1 3 o + + 1 3 o + o 