data_GaFeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   2.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFeSi2
_chemical_formula_sum   'Ga1 Fe1 Si2'
_cell_volume   52.5
_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
  Ga  Ga1  1  0.44  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.22  0.2  0.49  1.0
  Si  Si3  1  0.22  0.8  0.49  1.0

data_GaFeSi2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.35
_cell_length_b   2.99
_cell_length_c   4.35
_cell_angle_alpha   90.0
_cell_angle_beta   111.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   GaFeSi2
_chemical_formula_sum   'Ga1 Fe1 Si2'
_cell_volume   52.5
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ga  Ga0  1  0.44  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.22  0.5  0.8  1.0
  Si  Si3  1  0.22  0.5  0.2  1.0

Ga Fe Si Si
FeGaSi2 crystallizes in the triclinic P1 space group. Fe(1) is bonded in a 6-coordinate geometry to two equivalent Ga(1), two equivalent Si(1), and two equivalent Si(2) atoms. There is one shorter (1.89 Å) and one longer (2.46 Å) Fe(1)-Ga(1) bond length. There is one shorter (1.79 Å) and one longer (1.82 Å) Fe(1)-Si(1) bond length. There is one shorter (2.10 Å) and one longer (2.13 Å) Fe(1)-Si(2) bond length. Ga(1) is bonded in a 6-coordinate geometry to two equivalent Fe(1), two equivalent Si(1), and two equivalent Si(2) atoms. There is one shorter (2.10 Å) and one longer (2.13 Å) Ga(1)-Si(1) bond length. There is one shorter (1.79 Å) and one longer (1.82 Å) Ga(1)-Si(2) bond length. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to two equivalent Fe(1), two equivalent Ga(1), and two equivalent Si(2) atoms. There is one shorter (1.71 Å) and one longer (2.64 Å) Si(1)-Si(2) bond length. In the second Si site, Si(2) is bonded in a 6-coordinate geometry to two equivalent Fe(1), two equivalent Ga(1), and two equivalent Si(1) atoms.