data_[Sm8S8O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.4721]
_cell_length_b [7.1001]
_cell_length_c [7.0229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm2S2O]
_chemical_formula_sum '[Sm8 S8 O4]'
_cell_volume [417.4038]
_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  0.1377  0.5550  0.7508  1.0
  Sm  Sm1  4  0.4209  0.1385  0.6832  1.0
  S  S2  4  0.0769  0.2240  0.5291  1.0
  S  S3  4  0.3223  0.6404  0.4311  1.0
  O  O4  4  0.3826  0.0877  0.3508  1.0
]