data_ZrGa2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   137.86
_cell_angle_beta   137.86
_cell_angle_gamma   61.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGa2Si
_chemical_formula_sum   'Zr1 Ga2 Si1'
_cell_volume   67.92
_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
  Zr  Zr3  1  0.0  0.0  0.6  1.0
  Ga  Ga0  1  0.0  0.92  0.3  1.0
  Ga  Ga1  1  0.92  0.0  0.3  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_ZrGa2Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   120.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrGa2Si
_chemical_formula_sum   'Zr2 Ga4 Si2'
_cell_volume   135.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zr  Zr0  2  0.0  0.0  0.6  1.0
  Ga  Ga1  4  0.04  0.04  0.38  1.0
  Si  Si2  2  0.0  0.0  0.0  1.0

Zr Ga Ga Si
ZrGa2Si crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ZrGa2Si clusters. Zr(1) is bonded in a 3-coordinate geometry to two equivalent Ga(1) and one Si(1) atom. Both Zr(1)-Ga(1) bond lengths are 1.32 Å. The Zr(1)-Si(1) bond length is 2.13 Å. Ga(1) is bonded in a 2-coordinate geometry to one Zr(1) and one Ga(1) atom. The Ga(1)-Ga(1) bond length is 0.43 Å. Si(1) is bonded in a distorted single-bond geometry to one Zr(1) atom.