data_[Cs4Be4Pb2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Be  1.5700  1.0500  0.5900
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2214]
_cell_length_b [4.0905]
_cell_length_c [8.5046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Be2PbSe4]
_chemical_formula_sum '[Cs4 Be4 Pb2 Se8]'
_cell_volume [526.2550]
_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  4  0.1307  0.0000  0.5301  1.0
  Be  Be1  4  0.1775  0.5000  0.9665  1.0
  Pb  Pb2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.0431  0.5000  0.7752  1.0
  Se  Se4  4  0.2079  0.0000  0.1330  1.0
]