data_[Mn4Pd8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.0628]
_cell_length_b [13.3638]
_cell_length_c [5.5491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3494]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn(PdBr3)2]
_chemical_formula_sum '[Mn4 Pd8 Br24]'
_cell_volume [1028.9958]
_cell_formula_units_Z [4]
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
[
  Mn  Mn0  4  0.0000  0.0884  0.2500  1
  Pd  Pd1  8  0.0933  0.4034  0.1666  1
  Br  Br2  8  0.1090  0.0630  0.6288  1
  Br  Br3  8  0.1166  0.2219  0.1406  1
  Br  Br4  8  0.1197  0.4131  0.6789  1
]