data_[Cs2Mn2Pd2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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]
_cell_length_a [7.0242]
_cell_length_b [11.6855]
_cell_length_c [8.2389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1207]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsMnPdBr6]
_chemical_formula_sum '[Cs2 Mn2 Pd2 Br12]'
_cell_volume [675.7940]
_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
[
  Cs  Cs0  2  0.0000  0.0058  0.0000  1.0
  Mn  Mn1  2  0.0000  0.6752  0.5000  1.0
  Pd  Pd2  2  0.0000  0.3329  0.5000  1.0
  Br  Br3  4  0.1305  0.4943  0.6752  1.0
  Br  Br4  4  0.1819  0.1878  0.6750  1.0
  Br  Br5  4  0.1911  0.8100  0.6988  1.0
]