data_GaSb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   126.67
_cell_angle_beta   122.75
_cell_angle_gamma   82.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSb2Pd
_chemical_formula_sum   'Ga1 Sb2 Pd1'
_cell_volume   84.44
_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
  Sb  Sb2  1  0.27  0.0  0.99  1.0
  Sb  Sb3  1  0.0  0.43  0.83  1.0
  Pd  Pd1  1  0.0  0.0  0.82  1.0

data_GaSb2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.55
_cell_length_b   4.86
_cell_length_c   5.07
_cell_angle_alpha   118.62
_cell_angle_beta   116.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSb2Pd
_chemical_formula_sum   'Ga1 Sb2 Pd1'
_cell_volume   84.44
_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
  Sb  Sb1  1  0.17  0.59  0.59  1.0
  Sb  Sb2  1  0.29  0.01  0.29  1.0
  Pd  Pd3  1  0.18  0.18  0.18  1.0

Ga Sb Sb Pd
Ga Sb Sb Pd 0 3 o o - 0 2 o - - 0 2 o o - 1 3 o o o 1 2 o o o 2 3 o o o 