data_[Ce2Sm8S14]
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 [Cm]
_cell_length_a [13.2764]
_cell_length_b [3.9083]
_cell_length_c [11.8464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8344]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CeSm4S7]
_chemical_formula_sum '[Ce2 Sm8 S14]'
_cell_volume [594.2009]
_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  2  0.3879  0.5000  0.5793  1
  Sm  Sm1  2  0.1123  0.0000  0.4197  1
  Sm  Sm2  2  0.2000  0.5000  0.8130  1
  Sm  Sm3  2  0.3006  0.0000  0.1891  1
  Sm  Sm4  2  0.5000  0.5000  0.0007  1
  S  S5  2  0.0005  0.5000  0.4979  1
  S  S6  2  0.0439  0.0000  0.7862  1
  S  S7  2  0.1594  0.5000  0.0508  1
  S  S8  2  0.2393  0.5000  0.3497  1
  S  S9  2  0.2582  0.0000  0.6491  1
  S  S10  2  0.3414  0.0000  0.9496  1
  S  S11  2  0.4566  0.5000  0.2149  1
]