data_[Sm12Au2Se6S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1579]
_cell_length_b [12.3919]
_cell_length_c [7.1896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3802]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6AuSe3S2]
_chemical_formula_sum '[Sm12 Au2 Se6 S4]'
_cell_volume [601.5803]
_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
[
  Sm  Sm0  8  0.2488  0.3282  0.7583  1
  Sm  Sm1  4  0.2374  0.5000  0.2400  1
  Au  Au2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.0000  0.1647  0.5000  1
  Se  Se4  2  0.0000  0.5000  0.5000  1
  S  S5  4  0.0000  0.3339  0.0000  1
]