data_NiAg2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAg2Cl
_chemical_formula_sum   'Ni1 Ag2 Cl1'
_cell_volume   69.95
_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
  Ni  Ni3  1  0.97  0.97  0.0  1.0
  Ag  Ag0  1  0.97  0.0  0.25  1.0
  Ag  Ag1  1  0.0  0.97  0.25  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_NiAg2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiAg2Cl
_chemical_formula_sum   'Ni2 Ag4 Cl2'
_cell_volume   139.91
_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
  Ni  Ni0  2  0.47  0.5  -0.0  1.0
  Ag  Ag1  4  0.49  0.49  0.25  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

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