data_SiPdBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   3.79
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   103.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPdBr2
_chemical_formula_sum   'Si1 Pd1 Br2'
_cell_volume   97.56
_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  0.53  0.0  0.1  1.0
  Pd  Pd2  1  0.42  0.9  0.73  1.0
  Br  Br0  1  0.95  0.9  0.4  1.0
  Br  Br1  1  0.11  0.0  0.18  1.0

data_SiPdBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.1
_cell_length_c   6.45
_cell_angle_alpha   103.39
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPdBr2
_chemical_formula_sum   'Si1 Pd1 Br2'
_cell_volume   97.56
_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  0.47  0.9  1.0
  Pd  Pd1  1  0.1  0.58  0.27  1.0
  Br  Br2  1  0.0  0.89  0.82  1.0
  Br  Br3  1  0.1  0.05  0.6  1.0

Si Pd Br Br