data_[Sm4S4O16]
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 [6.5536]
_cell_length_b [7.5289]
_cell_length_c [8.9642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.0078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SmSO4]
_chemical_formula_sum '[Sm4 S4 O16]'
_cell_volume [333.7697]
_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  0.0846  0.5614  0.3176  1
  S  S1  4  0.4003  0.2141  0.6878  1
  O  O2  4  0.2202  0.1244  0.1208  1
  O  O3  4  0.2583  0.0858  0.5218  1
  O  O4  4  0.3351  0.7365  0.2473  1
  O  O5  4  0.4445  0.1314  0.8592  1
]