data_FeSi2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   134.42
_cell_angle_beta   134.42
_cell_angle_gamma   66.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi2Ag
_chemical_formula_sum   'Fe1 Si2 Ag1'
_cell_volume   56.13
_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
  Fe  Fe1  1  0.0  0.0  0.03  1.0
  Si  Si2  1  0.0  0.87  0.02  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.87  0.0  0.02  1.0

data_FeSi2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   4.82
_cell_angle_alpha   112.79
_cell_angle_beta   112.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi2Ag
_chemical_formula_sum   'Fe1 Si2 Ag1'
_cell_volume   56.13
_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
  Fe  Fe0  1  0.97  0.0  0.97  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.85  0.87  0.85  1.0
  Ag  Ag3  1  0.98  0.0  0.85  1.0

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