data_[Pr4Y8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8854]
_cell_length_b [13.0277]
_cell_length_c [13.2880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr(YS2)2]
_chemical_formula_sum '[Pr4 Y8 S16]'
_cell_volume [672.6076]
_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  0.3762  0.2500  1.0
  Y  Y1  8  0.0000  0.1301  0.0680  1.0
  S  S2  8  0.0000  0.2271  0.6189  1.0
  S  S3  4  0.0000  0.0380  0.2500  1.0
  S  S4  4  0.0000  0.5000  0.0000  1.0
]