data_[La2Sm8S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.3487]
_cell_length_b [3.9248]
_cell_length_c [11.8954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7288]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaSm4S7]
_chemical_formula_sum '[La2 Sm8 S14]'
_cell_volume [602.7307]
_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
[
  La  La0  2  0.3887  0.5000  0.5803  1
  Sm  Sm1  2  0.0006  0.0000  0.0019  1
  Sm  Sm2  2  0.1117  0.0000  0.4170  1
  Sm  Sm3  2  0.2002  0.5000  0.8147  1
  Sm  Sm4  2  0.3000  0.0000  0.1875  1
  S  S5  2  0.0030  0.5000  0.4965  1
  S  S6  2  0.0460  0.0000  0.7894  1
  S  S7  2  0.1592  0.5000  0.0510  1
  S  S8  2  0.2384  0.5000  0.3477  1
  S  S9  2  0.2543  0.0000  0.6493  1
  S  S10  2  0.3422  0.0000  0.9501  1
  S  S11  2  0.4556  0.5000  0.2146  1
]