data_[Sm8Y4Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8849]
_cell_length_b [16.8287]
_cell_length_c [11.5591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2YCuS5]
_chemical_formula_sum '[Sm8 Y4 Cu4 S20]'
_cell_volume [755.7008]
_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  0.1076  0.6856  1.0
  Sm  Sm1  4  0.0000  0.1209  0.3101  1.0
  Y  Y2  4  0.0000  0.1948  0.0105  1.0
  Cu  Cu3  4  0.0000  0.4425  0.4545  1.0
  S  S4  4  0.0000  0.0423  0.0605  1.0
  S  S5  4  0.0000  0.2892  0.6762  1.0
  S  S6  4  0.0000  0.3156  0.3465  1.0
  S  S7  4  0.0000  0.3577  0.0018  1.0
  S  S8  4  0.0000  0.4982  0.7782  1.0
]