data_[Na4Ce2Sc4Se12]
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
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9297]
_cell_length_b [12.0968]
_cell_length_c [7.4395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Ce(ScSe3)2]
_chemical_formula_sum '[Na4 Ce2 Sc4 Se12]'
_cell_volume [593.0675]
_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
[
  Na  Na0  4  0.0000  0.1640  0.0000  1.0
  Ce  Ce1  2  0.0000  0.0000  0.5000  1.0
  Sc  Sc2  4  0.0000  0.3329  0.5000  1.0
  Se  Se3  8  0.2439  0.1733  0.7186  1.0
  Se  Se4  4  0.2259  0.5000  0.7187  1.0
]