data_Zn2GaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   2.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2GaSi
_chemical_formula_sum   'Zn2 Ga1 Si1'
_cell_volume   66.35
_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
  Zn  Zn2  1  0.0  0.51  0.31  1.0
  Zn  Zn3  1  0.51  0.0  0.31  1.0
  Ga  Ga0  1  0.51  0.51  0.0  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_Zn2GaSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.11
_cell_length_b   7.11
_cell_length_c   2.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2GaSi
_chemical_formula_sum   'Zn4 Ga2 Si2'
_cell_volume   132.7
_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
  Zn  Zn0  4  0.26  0.26  0.31  1.0
  Ga  Ga1  2  0.01  0.5  0.0  1.0
  Si  Si2  2  0.0  0.0  0.0  1.0

Zn Zn Ga Si
Zn Zn Ga Si 0 2 - o o 0 2 - o + 0 2 o o o 0 2 o o + 0 3 o o o 0 3 o o + 0 3 o + o 0 3 o + + 0 0 o o + 1 3 o o o 1 3 o o + 1 3 + o o 1 3 + o + 1 2 o - o 1 2 o - + 1 2 o o o 1 2 o o + 1 1 o o + 2 2 o o + 3 3 o o + 
Zn2GaSi crystallizes in the monoclinic Cm space group. Zn(1) is bonded in a 4-coordinate geometry to four equivalent Ga(1) and two equivalent Si(1) atoms. There are a spread of Zn(1)-Ga(1) bond distances ranging from 2.58-3.15 Å. There is one shorter (2.58 Å) and one longer (2.71 Å) Zn(1)-Si(1) bond length. Ga(1) is bonded in a 10-coordinate geometry to eight equivalent Zn(1) and two equivalent Ga(1) atoms. Both Ga(1)-Ga(1) bond lengths are 2.63 Å. Si(1) is bonded in a 4-coordinate geometry to four equivalent Zn(1) atoms.