data_NaNi2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   3.5
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   94.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNi2Ag
_chemical_formula_sum   'Na1 Ni2 Ag1'
_cell_volume   63.0
_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  Na1  1  0.95  0.0  0.13  1.0
  Ni  Ni2  1  0.64  0.75  0.44  1.0
  Ni  Ni3  1  0.26  0.0  0.36  1.0
  Ag  Ag0  1  0.79  0.75  0.03  1.0

data_NaNi2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   3.5
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   94.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNi2Ag
_chemical_formula_sum   'Na1 Ni2 Ag1'
_cell_volume   63.0
_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  0.95  0.0  0.13  1.0
  Ni  Ni1  1  0.26  0.0  0.36  1.0
  Ni  Ni2  1  0.64  0.75  0.44  1.0
  Ag  Ag3  1  0.79  0.75  0.03  1.0

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