data_[La4Tb8Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [Cmc2_1]
_cell_length_a [3.8567]
_cell_length_b [18.7631]
_cell_length_c [11.0379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LaTb2CuS5]
_chemical_formula_sum '[La4 Tb8 Cu4 S20]'
_cell_volume [798.7418]
_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  0.0850  0.6824  1.0
  Tb  Tb1  4  0.0000  0.1079  0.3095  1.0
  La  La2  4  0.0000  0.1999  0.0061  1.0
  Cu  Cu3  4  0.0000  0.4357  0.4517  1.0
  S  S4  4  0.0000  0.0506  0.0624  1.0
  S  S5  4  0.0000  0.3044  0.6996  1.0
  S  S6  4  0.0000  0.3349  0.3250  1.0
  S  S7  4  0.0000  0.3637  0.0057  1.0
  S  S8  4  0.0000  0.4952  0.7817  1.0
]