data_FeAg2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.97
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAg2Bi
_chemical_formula_sum   'Fe1 Ag2 Bi1'
_cell_volume   81.23
_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  Fe3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.61  0.99  0.36  1.0
  Ag  Ag1  1  0.61  0.99  0.97  1.0
  Bi  Bi2  1  0.0  0.0  0.17  1.0

data_FeAg2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.97
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAg2Bi
_chemical_formula_sum   'Fe1 Ag2 Bi1'
_cell_volume   81.23
_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  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.61  0.99  0.36  1.0
  Ag  Ag2  1  0.61  0.99  0.97  1.0
  Bi  Bi3  1  0.0  0.0  0.17  1.0

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