data_SiGe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   127.56
_cell_angle_beta   127.56
_cell_angle_gamma   77.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiGe2Pd
_chemical_formula_sum   'Si1 Ge2 Pd1'
_cell_volume   67.39
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.12  0.0  0.87  1.0
  Ge  Ge1  1  0.0  0.0  0.75  1.0
  Pd  Pd2  1  0.0  0.12  0.87  1.0

data_SiGe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   4.8
_cell_angle_alpha   116.22
_cell_angle_beta   116.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiGe2Pd
_chemical_formula_sum   'Si1 Ge2 Pd1'
_cell_volume   67.39
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.13  0.0  0.25  1.0
  Ge  Ge2  1  0.25  0.0  0.25  1.0
  Pd  Pd3  1  0.25  0.12  0.25  1.0

Si Ge Ge Pd