data_[Cs10Pb4Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [16.1490]
_cell_length_b [5.0181]
_cell_length_c [13.3238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs5Pb2Se5]
_chemical_formula_sum '[Cs10 Pb4 Se10]'
_cell_volume [1039.0606]
_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  0.1598  0.5000  0.0691  1.0
  Cs  Cs1  4  0.2347  0.0000  0.6311  1.0
  Cs  Cs2  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb3  4  0.0409  0.0000  0.7999  1.0
  Se  Se4  4  0.1045  0.0000  0.3656  1.0
  Se  Se5  4  0.1379  0.5000  0.7868  1.0
  Se  Se6  2  0.0000  0.0000  0.0000  1.0
]