data_SiNiAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   4.65
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   93.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNiAg2
_chemical_formula_sum   'Si1 Ni1 Ag2'
_cell_volume   60.72
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.27  0.0  0.33  1.0
  Ag  Ag0  1  0.08  0.32  0.17  1.0
  Ag  Ag1  1  0.46  0.32  0.5  1.0

data_SiNiAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.65
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   93.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNiAg2
_chemical_formula_sum   'Si1 Ni1 Ag2'
_cell_volume   60.72
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.27  0.0  0.33  1.0
  Ag  Ag2  1  0.08  0.32  0.17  1.0
  Ag  Ag3  1  0.46  0.32  0.5  1.0

Si Ni Ag Ag
Si Ni Ag Ag 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 