data_[Sm8U4Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  U  1.3800  1.7500  0.9913
  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 [3.8389]
_cell_length_b [16.4486]
_cell_length_c [11.9673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2UCuS5]
_chemical_formula_sum '[Sm8 U4 Cu4 S20]'
_cell_volume [755.6737]
_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  0.1148  0.6924  1
  Sm  Sm1  4  0.0000  0.1159  0.3466  1
  U  U2  4  0.0000  0.1797  0.0279  1
  Cu  Cu3  4  0.0000  0.4516  0.4203  1
  S  S4  4  0.0000  0.0168  0.0150  1
  S  S5  4  0.0000  0.3003  0.6906  1
  S  S6  4  0.0000  0.3156  0.3619  1
  S  S7  4  0.0000  0.3453  0.0203  1
  S  S8  4  0.0000  0.4921  0.7488  1
]