data_[Ce12Pb2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [7.3877]
_cell_length_b [12.7976]
_cell_length_c [7.4049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6PbSe5]
_chemical_formula_sum '[Ce12 Pb2 Se10]'
_cell_volume [660.0437]
_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  8  0.2403  0.3269  0.7404  1
  Ce  Ce1  4  0.2385  0.5000  0.2554  1
  Pb  Pb2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.0000  0.1608  0.5000  1
  Se  Se4  4  0.0000  0.3323  0.0000  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
]