data_NaNiAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   4.52
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   99.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNiAg2
_chemical_formula_sum   'Na1 Ni1 Ag2'
_cell_volume   69.55
_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  Na2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.92  0.0  0.77  1.0
  Ag  Ag0  1  0.03  0.26  0.04  1.0
  Ag  Ag1  1  0.81  0.26  0.49  1.0

data_NaNiAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.52
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   99.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNiAg2
_chemical_formula_sum   'Na1 Ni1 Ag2'
_cell_volume   69.55
_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
  Ni  Ni1  1  0.92  0.0  0.77  1.0
  Ag  Ag2  1  0.03  0.26  0.04  1.0
  Ag  Ag3  1  0.81  0.26  0.49  1.0

Na Ni Ag Ag
Na Ni Ag Ag 0 1 - o - 0 2 o o o 1 3 o o o 