data_GaSi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.3
_cell_length_b   9.3
_cell_length_c   9.3
_cell_angle_alpha   19.52
_cell_angle_beta   19.52
_cell_angle_gamma   19.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSi2Sn
_chemical_formula_sum   'Ga1 Si2 Sn1'
_cell_volume   78.41
_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  Ga0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.0  0.0  0.1  1.0
  Si  Si2  1  0.0  0.0  0.25  1.0
  Sn  Sn3  1  0.0  0.0  0.67  1.0

data_GaSi2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.46
_cell_length_b   3.15
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   101.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaSi2Sn
_chemical_formula_sum   'Ga2 Si4 Sn2'
_cell_volume   156.83
_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
  Ga  Ga0  2  0.0  0.0  0.0  1.0
  Si  Si1  2  0.0  0.0  0.75  1.0
  Si  Si2  2  0.0  0.0  0.9  1.0
  Sn  Sn3  2  0.0  0.0  0.33  1.0

Ga Si Si Sn