data_[Cs2Nb2Pb2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nb  1.6000  1.4500  0.8200
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2468]
_cell_length_b [7.4620]
_cell_length_c [9.8130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsNbPbSe4]
_chemical_formula_sum '[Cs2 Nb2 Pb2 Se8]'
_cell_volume [507.0132]
_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  0.2619  0.2500  0.0653  1
  Nb  Nb1  2  0.2124  0.7500  0.3280  1
  Pb  Pb2  2  0.2426  0.2500  0.5606  1
  Se  Se3  4  0.0047  0.5050  0.7069  1
  Se  Se4  2  0.4095  0.7500  0.1663  1
  Se  Se5  2  0.4204  0.7500  0.5688  1
]