data_GaSi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   5.51
_cell_angle_alpha   107.78
_cell_angle_beta   107.78
_cell_angle_gamma   45.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSi2Sn
_chemical_formula_sum   'Ga1 Si2 Sn1'
_cell_volume   81.66
_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  0.15  0.0  0.85  1.0
  Si  Si2  1  0.69  0.0  0.36  1.0
  Sn  Sn3  1  0.42  0.0  0.6  1.0

data_GaSi2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   4.69
_cell_length_c   5.51
_cell_angle_alpha   107.78
_cell_angle_beta   90.0
_cell_angle_gamma   112.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSi2Sn
_chemical_formula_sum   'Ga1 Si2 Sn1'
_cell_volume   81.66
_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  0.31  0.64  1.0
  Si  Si2  1  0.0  0.85  0.15  1.0
  Sn  Sn3  1  0.0  0.58  0.4  1.0

Ga Si Si Sn
Ga Si Si Sn 0 1 o o - 1 3 o o o 2 3 o o o 