data_[Pr4Nd8Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  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 [3.9513]
_cell_length_b [17.6238]
_cell_length_c [11.5834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [PrNd2CuS5]
_chemical_formula_sum '[Pr4 Nd8 Cu4 S20]'
_cell_volume [806.6420]
_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  0.1958  0.0100  1.0
  Nd  Nd1  4  0.0000  0.1029  0.6839  1.0
  Nd  Nd2  4  0.0000  0.1147  0.3115  1.0
  Cu  Cu3  4  0.0000  0.4416  0.4530  1.0
  S  S4  4  0.0000  0.0420  0.0584  1.0
  S  S5  4  0.0000  0.2935  0.6864  1.0
  S  S6  4  0.0000  0.3245  0.3404  1.0
  S  S7  4  0.0000  0.3597  0.0024  1.0
  S  S8  4  0.0000  0.4982  0.7780  1.0
]