data_[Na4Ce4Cu4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ce  1.1200  1.8500  1.0800
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.6561]
_cell_length_b [4.2031]
_cell_length_c [11.9837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaCeCuSe3]
_chemical_formula_sum '[Na4 Ce4 Cu4 Se12]'
_cell_volume [587.0995]
_cell_formula_units_Z [4]
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
[
  Na  Na0  4  0.1787  0.2500  0.5020  1
  Ce  Ce1  4  0.0175  0.2500  0.8174  1
  Cu  Cu2  4  0.2410  0.7500  0.7131  1
  Se  Se3  4  0.0482  0.7500  0.6408  1
  Se  Se4  4  0.1186  0.2500  0.0597  1
  Se  Se5  4  0.2175  0.7500  0.3072  1
]