data_GaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   7.2
_cell_angle_alpha   109.22
_cell_angle_beta   109.22
_cell_angle_gamma   29.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSi
_chemical_formula_sum   'Ga3 Si3'
_cell_volume   101.39
_cell_formula_units_Z   3
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  Ga0  1  0.12  0.0  0.53  1.0
  Ga  Ga1  1  0.1  0.0  0.18  1.0
  Ga  Ga2  1  0.1  0.0  0.05  1.0
  Si  Si3  1  0.14  0.0  0.23  1.0
  Si  Si4  1  0.05  0.0  0.75  1.0
  Si  Si5  1  0.92  0.0  0.71  1.0

data_GaSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   5.55
_cell_length_c   7.2
_cell_angle_alpha   109.22
_cell_angle_beta   90.0
_cell_angle_gamma   104.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSi
_chemical_formula_sum   'Ga3 Si3'
_cell_volume   101.39
_cell_formula_units_Z   3
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  Ga0  1  0.0  0.88  0.47  1.0
  Ga  Ga1  1  0.0  0.9  0.82  1.0
  Ga  Ga2  1  0.0  0.9  0.95  1.0
  Si  Si3  1  0.0  0.08  0.29  1.0
  Si  Si4  1  0.0  0.86  0.77  1.0
  Si  Si5  1  0.0  0.95  0.25  1.0

Ga Ga Ga Si Si Si
Ga Ga Ga Si Si Si 0 4 o o o 0 5 - o o 1 3 o o o 1 2 o o o 4 5 - o o 