data_[Na3Ce3Y12S24]
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
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1100]
_cell_length_b [8.1100]
_cell_length_c [20.2795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaCe(YS2)4]
_chemical_formula_sum '[Na3 Ce3 Y12 S24]'
_cell_volume [1155.1255]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3737  1.0
  Ce  Ce1  3  0.0000  0.0000  0.0035  1.0
  Y  Y2  9  0.1727  0.3455  0.8321  1.0
  Y  Y3  3  0.0000  0.0000  0.6263  1.0
  S  S4  9  0.0264  0.5132  0.7563  1.0
  S  S5  9  0.1745  0.3491  0.5782  1.0
  S  S6  3  0.0000  0.0000  0.2387  1.0
  S  S7  3  0.0000  0.0000  0.7582  1.0
]