data_[Sm4S8]
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 [P2_1/c]
_cell_length_a [8.0608]
_cell_length_b [3.9928]
_cell_length_c [7.9775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1511]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SmS2]
_chemical_formula_sum '[Sm4 S8]'
_cell_volume [256.7583]
_cell_formula_units_Z [4]
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  4  0.2755  0.2125  0.1287  1
  S  S1  4  0.0028  0.6588  0.1094  1
  S  S2  4  0.3678  0.7395  0.3744  1
]