data_[Ce12Pd2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2958]
_cell_length_b [12.6089]
_cell_length_c [7.2775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5185]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6PdSe5]
_chemical_formula_sum '[Ce12 Pd2 Se10]'
_cell_volume [630.9994]
_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  0.2480  0.1658  0.2476  1
  Ce  Ce1  4  0.2480  0.0000  0.7485  1
  Pd  Pd2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.0000  0.1691  0.5000  1
  Se  Se4  4  0.0000  0.3341  0.0000  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
]