data_[Na2Pd2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2512]
_cell_length_b [4.0174]
_cell_length_c [12.9303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaPdBr4]
_chemical_formula_sum '[Na2 Pd2 Br8]'
_cell_volume [361.7806]
_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
[
  Na  Na0  2  0.5000  0.0000  0.5000  1.0
  Pd  Pd1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  4  0.0780  0.0466  0.3826  1.0
  Br  Br3  4  0.3391  0.0010  0.1185  1.0
]