data_[Ce6Sm4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [14.1546]
_cell_length_b [8.1366]
_cell_length_c [6.8685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6317]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3(SmS4)2]
_chemical_formula_sum '[Ce6 Sm4 S16]'
_cell_volume [740.3204]
_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
[
  Ce  Ce0  4  0.0000  0.2618  0.0000  1
  Ce  Ce1  2  0.0000  0.0000  0.5000  1
  Sm  Sm2  4  0.2327  0.5000  0.6564  1
  S  S3  8  0.1271  0.2282  0.4137  1
  S  S4  4  0.1102  0.5000  0.8944  1
  S  S5  4  0.1160  0.0000  0.9314  1
]