data_[Sm8S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.4334]
_cell_length_b [4.4334]
_cell_length_c [28.8696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [SmS]
_chemical_formula_sum '[Sm8 S8]'
_cell_volume [491.4193]
_cell_formula_units_Z [8]
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
[
  Sm  Sm0  2  0.0000  0.0000  0.0002  1
  Sm  Sm1  2  0.3333  0.6667  0.1247  1
  Sm  Sm2  2  0.3333  0.6667  0.3748  1
  Sm  Sm3  2  0.3333  0.6667  0.7501  1
  S  S4  2  0.0000  0.0000  0.0940  1
  S  S5  2  0.3333  0.6667  0.2188  1
  S  S6  2  0.3333  0.6667  0.4684  1
  S  S7  2  0.3333  0.6667  0.8441  1
]