data_Be2GaAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   2.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2GaAg
_chemical_formula_sum   'Be2 Ga1 Ag1'
_cell_volume   51.5
_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  0.32  0.34  0.47  1.0
  Be  Be2  1  0.32  0.66  0.47  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.64  0.0  0.0  1.0

data_Be2GaAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.25
_cell_length_c   4.25
_cell_angle_alpha   103.2
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2GaAg
_chemical_formula_sum   'Be2 Ga1 Ag1'
_cell_volume   51.5
_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  0.47  0.32  0.34  1.0
  Be  Be1  1  0.47  0.32  0.66  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.64  0.0  1.0

Be Be Ga Ag
Be Be Ga Ag 0 1 o o o 2 3 - o o 
Be2AgGa crystallizes in the triclinic P1 space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 5-coordinate geometry to one Be(2), two equivalent Ag(1), and two equivalent Ga(1) atoms. The Be(1)-Be(2) bond length is 1.39 Å. There is one shorter (2.58 Å) and one longer (2.68 Å) Be(1)-Ag(1) bond length. There is one shorter (2.21 Å) and one longer (2.33 Å) Be(1)-Ga(1) bond length. In the second Be site, Be(2) is bonded in a 5-coordinate geometry to one Be(1), two equivalent Ag(1), and two equivalent Ga(1) atoms. There is one shorter (2.21 Å) and one longer (2.33 Å) Be(2)-Ag(1) bond length. There is one shorter (2.58 Å) and one longer (2.68 Å) Be(2)-Ga(1) bond length. Ag(1) is bonded in a 3-coordinate geometry to two equivalent Be(1), two equivalent Be(2), and one Ga(1) atom. The Ag(1)-Ga(1) bond length is 1.54 Å. Ga(1) is bonded in a 1-coordinate geometry to two equivalent Be(1), two equivalent Be(2), and one Ag(1) atom.