data_[Pr8Cu4Sn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9313]
_cell_length_b [16.7609]
_cell_length_c [11.8362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2CuSnS5]
_chemical_formula_sum '[Pr8 Cu4 Sn4 S20]'
_cell_volume [779.9075]
_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
[
  Pr  Pr0  4  0.0000  0.1151  0.6856  1.0
  Pr  Pr1  4  0.0000  0.1193  0.3036  1.0
  Cu  Cu2  4  0.0000  0.4986  0.9857  1.0
  Sn  Sn3  4  0.0000  0.1901  0.0008  1.0
  S  S4  4  0.0000  0.0399  0.0651  1.0
  S  S5  4  0.0000  0.2912  0.6606  1.0
  S  S6  4  0.0000  0.2986  0.3336  1.0
  S  S7  4  0.0000  0.3555  0.9975  1.0
  S  S8  4  0.0000  0.4941  0.2917  1.0
]