data_[Pr8Al4Ni4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9215]
_cell_length_b [17.1718]
_cell_length_c [11.0222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2AlNiS5]
_chemical_formula_sum '[Pr8 Al4 Ni4 S20]'
_cell_volume [742.2343]
_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  0.1084  0.6720  1.0
  Pr  Pr1  4  0.0000  0.1216  0.2954  1.0
  Al  Al2  4  0.0000  0.4035  0.4628  1.0
  Ni  Ni3  4  0.0000  0.2549  0.1197  1.0
  S  S4  4  0.0000  0.0453  0.0461  1.0
  S  S5  4  0.0000  0.3029  0.3200  1.0
  S  S6  4  0.0000  0.3071  0.6272  1.0
  S  S7  4  0.0000  0.3555  0.9897  1.0
  S  S8  4  0.0000  0.4921  0.2910  1.0
]