data_[Sb1Pd1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6591]
_cell_length_b [6.7573]
_cell_length_c [7.1794]
_cell_angle_alpha [62.3019]
_cell_angle_beta [89.5694]
_cell_angle_gamma [63.7881]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SbPdBr6]
_chemical_formula_sum '[Sb1 Pd1 Br6]'
_cell_volume [248.5389]
_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
[
  Sb  Sb0  1  0.5000  0.0000  0.5000  1.0
  Pd  Pd1  1  0.0000  0.0000  0.0000  1.0
  Br  Br2  2  0.0799  0.1516  0.2372  1.0
  Br  Br3  2  0.2339  0.1678  0.7607  1.0
  Br  Br4  2  0.3793  0.5070  0.2504  1.0
]