data_GaSi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   3.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSi2Pb
_chemical_formula_sum   'Ga1 Si2 Pb1'
_cell_volume   85.01
_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  Si2  1  0.51  0.78  0.59  1.0
  Si  Si3  1  0.51  0.22  0.59  1.0
  Pb  Pb1  1  0.02  0.0  0.0  1.0

data_GaSi2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   111.41
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSi2Pb
_chemical_formula_sum   'Ga1 Si2 Pb1'
_cell_volume   85.01
_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  0.59  0.51  0.22  1.0
  Si  Si2  1  0.59  0.51  0.78  1.0
  Pb  Pb3  1  0.0  0.02  0.0  1.0

Ga Si Si Pb
Ga Si Si Pb 0 3 o o o 0 1 - - o 0 1 - - - 0 2 o o o 0 2 o o - 1 2 o + o 1 2 o o o 1 3 + + o 1 3 + + + 2 3 o o o 2 3 o o + 