data_[Na9Ce9Sm3S24]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2420]
_cell_length_b [8.2420]
_cell_length_c [19.9272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na3Ce3SmS8]
_chemical_formula_sum '[Na9 Ce9 Sm3 S24]'
_cell_volume [1172.3116]
_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  9  0.0000  0.5000  0.5000  1.0
  Ce  Ce1  9  0.0000  0.5000  0.0000  1.0
  Sm  Sm2  3  0.0000  0.0000  0.0000  1.0
  S  S3  18  0.0003  0.5001  0.7411  1.0
  S  S4  6  0.0000  0.0000  0.2562  1.0
]