data_Fe2SiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   144.77
_cell_angle_beta   128.26
_cell_angle_gamma   64.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SiAg
_chemical_formula_sum   'Fe2 Si1 Ag1'
_cell_volume   53.28
_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  0.13  1.0
  Fe  Fe2  1  0.49  0.0  0.17  1.0
  Si  Si3  1  0.0  0.0  0.04  1.0
  Ag  Ag0  1  0.0  0.15  0.99  1.0

data_Fe2SiAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.29
_cell_length_c   4.92
_cell_angle_alpha   115.87
_cell_angle_beta   107.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SiAg
_chemical_formula_sum   'Fe2 Si1 Ag1'
_cell_volume   53.28
_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  0.32  0.83  0.32  1.0
  Fe  Fe1  1  0.87  0.87  0.87  1.0
  Si  Si2  1  0.96  0.96  0.96  1.0
  Ag  Ag3  1  0.01  0.15  0.15  1.0

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