data_BeGa2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.89
_cell_angle_alpha   103.07
_cell_angle_beta   103.07
_cell_angle_gamma   35.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGa2Si
_chemical_formula_sum   'Be1 Ga2 Si1'
_cell_volume   59.71
_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  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.19  0.0  0.11  1.0
  Ga  Ga2  1  0.46  0.0  0.64  1.0
  Si  Si3  1  0.83  0.0  0.37  1.0

data_BeGa2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.63
_cell_length_c   4.89
_cell_angle_alpha   103.07
_cell_angle_beta   90.0
_cell_angle_gamma   107.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGa2Si
_chemical_formula_sum   'Be1 Ga2 Si1'
_cell_volume   59.71
_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  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.54  0.36  1.0
  Ga  Ga2  1  0.0  0.81  0.89  1.0
  Si  Si3  1  0.0  0.17  0.63  1.0

Be Ga Ga Si
BeGa2Si crystallizes in the triclinic P1 space group. Be(1) is bonded in a single-bond geometry to one Ga(1), one Ga(2), and one Si(1) atom. The Be(1)-Ga(1) bond length is 0.91 Å. The Be(1)-Ga(2) bond length is 2.71 Å. The Be(1)-Si(1) bond length is 2.15 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a single-bond geometry to one Be(1) and two equivalent Ga(2) atoms. There is one shorter (2.63 Å) and one longer (2.84 Å) Ga(1)-Ga(2) bond length. In the second Ga site, Ga(2) is bonded in a 7-coordinate geometry to one Be(1), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Si(1) atoms. Both Ga(2)-Ga(2) bond lengths are 2.86 Å. There is one shorter (2.35 Å) and one longer (2.94 Å) Ga(2)-Si(1) bond length. Si(1) is bonded in a 2-coordinate geometry to one Be(1) and two equivalent Ga(2) atoms.