data_[Na2Ce6Sm4Te12]
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
  Sm  1.1700  1.8500  1.2290
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6108]
_cell_length_b [4.4573]
_cell_length_c [9.0213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4931]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaCe3(SmTe3)2]
_chemical_formula_sum '[Na2 Ce6 Sm4 Te12]'
_cell_volume [766.8078]
_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  2  0.0000  0.5000  0.0000  1.0
  Ce  Ce1  4  0.1656  0.0000  0.8331  1.0
  Ce  Ce2  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm3  4  0.1693  0.0000  0.3403  1.0
  Te  Te4  4  0.0027  0.0000  0.2489  1.0
  Te  Te5  4  0.1658  0.5000  0.0884  1.0
  Te  Te6  4  0.1664  0.5000  0.5832  1.0
]