data_SiNiAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   131.15
_cell_angle_beta   131.15
_cell_angle_gamma   71.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNiAg2
_chemical_formula_sum   'Si1 Ni1 Ag2'
_cell_volume   59.66
_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  0.0  0.97  0.93  1.0
  Ag  Ag0  1  0.97  0.0  0.93  1.0
  Ag  Ag1  1  0.0  0.0  0.86  1.0

data_SiNiAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   4.76
_cell_angle_alpha   114.42
_cell_angle_beta   114.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNiAg2
_chemical_formula_sum   'Si1 Ni1 Ag2'
_cell_volume   59.66
_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  0.96  0.93  0.96  1.0
  Ag  Ag2  1  0.86  0.86  0.86  1.0
  Ag  Ag3  1  0.93  0.96  0.96  1.0

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