data_BeFe2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   3.03
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   93.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFe2Ag
_chemical_formula_sum   'Be1 Fe2 Ag1'
_cell_volume   48.5
_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
  Be  Be1  1  0.08  0.0  0.52  1.0
  Fe  Fe2  1  0.41  0.52  0.66  1.0
  Fe  Fe3  1  0.32  0.0  0.17  1.0
  Ag  Ag0  1  0.85  0.52  0.97  1.0

data_BeFe2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.03
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   93.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFe2Ag
_chemical_formula_sum   'Be1 Fe2 Ag1'
_cell_volume   48.5
_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
  Be  Be0  1  0.08  0.0  0.52  1.0
  Fe  Fe1  1  0.32  0.0  0.17  1.0
  Fe  Fe2  1  0.41  0.52  0.66  1.0
  Ag  Ag3  1  0.85  0.52  0.97  1.0

Be Fe Fe Ag
Be Fe Fe Ag 0 1 o - o 0 1 o o o 0 2 o o o 1 3 o o o 1 3 - o o 2 3 - - - 2 3 - o - 2 3 o - - 2 3 o o - 
BeFe2Ag crystallizes in the triclinic P1 space group. Be(1) is bonded in a 3-coordinate geometry to two equivalent Fe(2) and four equivalent Fe(1) atoms. There is one shorter (2.20 Å) and one longer (2.86 Å) Be(1)-Fe(2) bond length. There are a spread of Be(1)-Fe(1) bond distances ranging from 1.88-2.59 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to four equivalent Be(1) and two equivalent Ag(1) atoms. There is one shorter (2.10 Å) and one longer (2.46 Å) Fe(1)-Ag(1) bond length. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to two equivalent Be(1) and four equivalent Ag(1) atoms. There are a spread of Fe(2)-Ag(1) bond distances ranging from 2.22-2.47 Å. Ag(1) is bonded in a 6-coordinate geometry to two equivalent Fe(1) and four equivalent Fe(2) atoms.