data_Ni3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   5.18
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3Ag
_chemical_formula_sum   'Ni6 Ag2'
_cell_volume   101.08
_cell_formula_units_Z   2
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  0.0  0.0  0.2  1.0
  Ni  Ni3  1  0.12  0.3  0.91  1.0
  Ni  Ni4  1  0.0  0.29  0.69  1.0
  Ni  Ni5  1  0.12  0.59  0.41  1.0
  Ni  Ni6  1  0.12  0.88  0.91  1.0
  Ni  Ni7  1  0.0  0.89  0.69  1.0
  Ag  Ag0  1  0.12  0.0  0.62  1.0
  Ag  Ag1  1  0.0  0.59  0.98  1.0

data_Ni3Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.6
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3Ag
_chemical_formula_sum   'Ni6 Ag2'
_cell_volume   101.08
_cell_formula_units_Z   2
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  0.0  0.8  0.0  1.0
  Ni  Ni1  1  0.0  0.31  0.11  1.0
  Ni  Ni2  1  0.0  0.31  0.71  1.0
  Ni  Ni3  1  0.88  0.09  0.12  1.0
  Ni  Ni4  1  0.88  0.09  0.7  1.0
  Ni  Ni5  1  0.88  0.59  0.41  1.0
  Ag  Ag6  1  0.0  0.02  0.41  1.0
  Ag  Ag7  1  0.88  0.38  0.0  1.0

Ni Ni Ni Ni Ni Ni Ag Ag
Ni Ni Ni Ni Ni Ni Ag Ag 0 4 o - - 0 3 o - o 1 2 o o o 1 7 o o o 2 3 o o o 3 7 o o - 3 5 o o o 3 6 o + o 4 5 o o o 4 7 o o o 5 6 o + o 