data_Ni2AgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2AgCl
_chemical_formula_sum   'Ni2 Ag1 Cl1'
_cell_volume   59.28
_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  Ni2  1  0.54  0.0  0.75  1.0
  Ni  Ni3  1  0.54  0.0  0.97  1.0
  Ag  Ag0  1  0.0  0.0  0.86  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Ni2AgCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2AgCl
_chemical_formula_sum   'Ni2 Ag1 Cl1'
_cell_volume   59.28
_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  0.54  0.0  0.75  1.0
  Ni  Ni1  1  0.54  0.0  0.97  1.0
  Ag  Ag2  1  0.0  0.0  0.86  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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