data_SiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.81
_cell_length_b   7.81
_cell_length_c   2.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPd2
_chemical_formula_sum   'Si3 Pd6'
_cell_volume   147.59
_cell_formula_units_Z   3
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
  Si  Si1  1  0.9  0.25  0.4  1.0
  Si  Si2  1  0.0  0.51  0.4  1.0
  Pd  Pd3  1  0.03  0.68  0.4  1.0
  Pd  Pd4  1  0.67  0.0  0.4  1.0
  Pd  Pd5  1  0.93  0.08  0.4  1.0
  Pd  Pd6  1  0.67  0.04  0.4  1.0
  Pd  Pd7  1  0.57  0.72  0.4  1.0
  Pd  Pd8  1  0.94  0.0  0.4  1.0

data_SiPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   7.81
_cell_length_c   7.81
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPd2
_chemical_formula_sum   'Si3 Pd6'
_cell_volume   147.59
_cell_formula_units_Z   3
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
  Si  Si1  1  0.4  0.0  0.51  1.0
  Si  Si2  1  0.4  0.9  0.25  1.0
  Pd  Pd3  1  0.4  0.03  0.68  1.0
  Pd  Pd4  1  0.4  0.57  0.72  1.0
  Pd  Pd5  1  0.4  0.67  0.04  1.0
  Pd  Pd6  1  0.4  0.67  0.0  1.0
  Pd  Pd7  1  0.4  0.93  0.08  1.0
  Pd  Pd8  1  0.4  0.94  0.0  1.0

Si Si Si Pd Pd Pd Pd Pd Pd