data_[Tb4Pr8Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  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 [3.9475]
_cell_length_b [17.0205]
_cell_length_c [11.7167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TbPr2CuS5]
_chemical_formula_sum '[Tb4 Pr8 Cu4 S20]'
_cell_volume [787.2261]
_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  0.1947  0.0104  1.0
  Pr  Pr1  4  0.0000  0.1086  0.6863  1.0
  Pr  Pr2  4  0.0000  0.1216  0.3116  1.0
  Cu  Cu3  4  0.0000  0.4424  0.4540  1.0
  S  S4  4  0.0000  0.0426  0.0576  1.0
  S  S5  4  0.0000  0.2896  0.6738  1.0
  S  S6  4  0.0000  0.3145  0.3492  1.0
  S  S7  4  0.0000  0.3568  0.0022  1.0
  S  S8  4  0.0000  0.4988  0.7788  1.0
]