data_[Co4Pd12Br36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [18.2320]
_cell_length_b [8.3435]
_cell_length_c [13.1739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.0629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Co(PdBr3)3]
_chemical_formula_sum '[Co4 Pd12 Br36]'
_cell_volume [1619.9817]
_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
[
  Co  Co0  4  0.2486  0.2796  0.4881  1
  Pd  Pd1  4  0.0036  0.4430  0.2450  1
  Pd  Pd2  4  0.1357  0.0550  0.6939  1
  Pd  Pd3  4  0.3674  0.3447  0.2901  1
  Br  Br4  4  0.0081  0.0681  0.9953  1
  Br  Br5  4  0.0529  0.2912  0.6975  1
  Br  Br6  4  0.1115  0.1296  0.3215  1
  Br  Br7  4  0.1434  0.4769  0.4603  1
  Br  Br8  4  0.2404  0.1621  0.6516  1
  Br  Br9  4  0.2531  0.4164  0.3286  1
  Br  Br10  4  0.3571  0.0751  0.5267  1
  Br  Br11  4  0.3674  0.4519  0.6461  1
  Br  Br12  4  0.4284  0.0756  0.3331  1
]