data_[Tb8Sc4Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  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 [3.7889]
_cell_length_b [16.3116]
_cell_length_c [11.3518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb2ScCuS5]
_chemical_formula_sum '[Tb8 Sc4 Cu4 S20]'
_cell_volume [701.5621]
_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
[
  Tb  Tb0  4  0.0000  0.1090  0.6865  1.0
  Tb  Tb1  4  0.0000  0.1258  0.3081  1.0
  Sc  Sc2  4  0.0000  0.1940  0.0117  1.0
  Cu  Cu3  4  0.0000  0.4377  0.4540  1.0
  S  S4  4  0.0000  0.0466  0.0630  1.0
  S  S5  4  0.0000  0.2866  0.6684  1.0
  S  S6  4  0.0000  0.3097  0.3517  1.0
  S  S7  4  0.0000  0.3547  0.0020  1.0
  S  S8  4  0.0000  0.4975  0.7786  1.0
]