data_[Ce2Ag4Pb6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ag  1.9300  1.6000  1.0867
  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 [7.2486]
_cell_length_b [12.6208]
_cell_length_c [7.4698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0299]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeAg2(PbSe2)3]
_chemical_formula_sum '[Ce2 Ag4 Pb6 Se12]'
_cell_volume [649.7993]
_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
[
  Ce  Ce0  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  4  0.0000  0.3297  0.0000  1.0
  Pb  Pb2  4  0.0000  0.1654  0.5000  1.0
  Pb  Pb3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  8  0.2439  0.1628  0.2268  1.0
  Se  Se5  4  0.2455  0.0000  0.7588  1.0
]