data_[Mg2Pd4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4622]
_cell_length_b [10.9222]
_cell_length_c [9.4333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9800]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg(PdBr4)2]
_chemical_formula_sum '[Mg2 Pd4 Br16]'
_cell_volume [819.3979]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.0000  1
  Pd  Pd1  4  0.1878  0.5000  0.6713  1
  Br  Br2  8  0.2397  0.3430  0.8885  1
  Br  Br3  4  0.0086  0.0000  0.2834  1
  Br  Br4  4  0.1208  0.5000  0.3885  1
]