data_[Tb8Ga4Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ga  1.8100  1.3000  0.7600
  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 [3.7982]
_cell_length_b [17.6721]
_cell_length_c [10.8740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb2GaCuS5]
_chemical_formula_sum '[Tb8 Ga4 Cu4 S20]'
_cell_volume [729.8883]
_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  0.1035  0.6731  1.0
  Tb  Tb1  4  0.0000  0.1170  0.2928  1.0
  Ga  Ga2  4  0.0000  0.4068  0.4665  1.0
  Cu  Cu3  4  0.0000  0.2544  0.1075  1.0
  S  S4  4  0.0000  0.0406  0.0557  1.0
  S  S5  4  0.0000  0.3124  0.6403  1.0
  S  S6  4  0.0000  0.3158  0.3155  1.0
  S  S7  4  0.0000  0.3591  0.9883  1.0
  S  S8  4  0.0000  0.4969  0.2843  1.0
]