data_BaFeAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   4.94
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaFeAg2
_chemical_formula_sum   'Ba1 Fe1 Ag2'
_cell_volume   95.5
_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
  Ba  Ba2  1  0.87  0.47  0.0  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.47  0.58  1.0
  Ag  Ag1  1  0.87  0.0  0.58  1.0

data_BaFeAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   4.94
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaFeAg2
_chemical_formula_sum   'Ba1 Fe1 Ag2'
_cell_volume   95.5
_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
  Ba  Ba0  1  0.87  0.47  -0.0  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  -0.0  0.47  0.58  1.0
  Ag  Ag3  1  0.87  0.0  0.58  1.0

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