data_[Tb4Cu4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.5711]
_cell_length_b [3.9825]
_cell_length_c [6.2856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TbCuS2]
_chemical_formula_sum '[Tb4 Cu4 S8]'
_cell_volume [339.7181]
_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  0.1334  0.2500  0.4992  1.0
  Cu  Cu1  4  0.0433  0.7500  0.1284  1.0
  S  S2  4  0.0396  0.7500  0.7485  1.0
  S  S3  4  0.2029  0.7500  0.2563  1.0
]