data_[Cs8Mn16Pb16]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [4.2316]
_cell_length_b [15.6636]
_cell_length_c [17.1300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Cs(MnPb)2]
_chemical_formula_sum '[Cs8 Mn16 Pb16]'
_cell_volume [1135.4178]
_cell_formula_units_Z [8]
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  8  0.0000  0.0000  0.5000  1
  Mn  Mn1  16  0.1250  0.1250  0.6250  1
  Pb  Pb2  16  0.0000  0.0000  0.1807  1
]