data_NiAg2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.31
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   101.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAg2Cl
_chemical_formula_sum   'Ni1 Ag2 Cl1'
_cell_volume   72.1
_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  0.52  0.65  0.43  1.0
  Ag  Ag0  1  0.22  0.0  0.19  1.0
  Ag  Ag1  1  0.26  0.65  0.07  1.0
  Cl  Cl2  1  0.59  0.0  0.96  1.0

data_NiAg2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   3.39
_cell_length_c   6.56
_cell_angle_alpha   101.07
_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   72.1
_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  Ni0  1  0.35  0.48  0.57  1.0
  Ag  Ag1  1  0.0  0.78  0.81  1.0
  Ag  Ag2  1  0.35  0.74  0.93  1.0
  Cl  Cl3  1  0.0  0.41  0.04  1.0

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