data_[Sm4Cu4Bi8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9879]
_cell_length_b [18.8614]
_cell_length_c [12.2184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SmCuBi2S5]
_chemical_formula_sum '[Sm4 Cu4 Bi8 S20]'
_cell_volume [919.0306]
_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  0.0000  0.2021  0.0071  1.0
  Cu  Cu1  4  0.0000  0.4307  0.4600  1.0
  Bi  Bi2  4  0.0000  0.0874  0.2666  1.0
  Bi  Bi3  4  0.0000  0.1495  0.6775  1.0
  S  S4  4  0.0000  0.0558  0.0579  1.0
  S  S5  4  0.0000  0.2892  0.6714  1.0
  S  S6  4  0.0000  0.3221  0.3582  1.0
  S  S7  4  0.0000  0.3511  0.0267  1.0
  S  S8  4  0.0000  0.4956  0.2986  1.0
]