data_GdSiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   7.14
_cell_angle_alpha   128.41
_cell_angle_beta   128.41
_cell_angle_gamma   46.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdSiPd
_chemical_formula_sum   'Gd2 Si2 Pd2'
_cell_volume   117.31
_cell_formula_units_Z   2
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
  Gd  Gd0  1  0.32  0.0  0.66  1.0
  Gd  Gd1  1  0.11  0.0  0.6  1.0
  Si  Si2  1  0.09  0.0  0.55  1.0
  Si  Si3  1  0.34  0.0  0.71  1.0
  Pd  Pd4  1  0.11  0.0  0.36  1.0
  Pd  Pd5  1  0.32  0.0  0.91  1.0

data_GdSiPd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.35
_cell_length_b   5.56
_cell_length_c   5.71
_cell_angle_alpha   78.57
_cell_angle_beta   67.6
_cell_angle_gamma   67.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GdSiPd
_chemical_formula_sum   'Gd2 Si2 Pd2'
_cell_volume   117.31
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Gd  Gd0  2  0.0  0.43  0.47  1.0
  Si  Si1  2  0.0  0.45  0.42  1.0
  Pd  Pd2  2  0.0  0.34  0.77  1.0

Gd Gd Si Si Pd Pd