data_[Pr4Tm8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8441]
_cell_length_b [12.8215]
_cell_length_c [13.1780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr(TmS2)2]
_chemical_formula_sum '[Pr4 Tm8 S16]'
_cell_volume [649.4962]
_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  0.3771  0.2500  1.0
  Tm  Tm1  8  0.0000  0.1307  0.0673  1.0
  S  S2  8  0.0000  0.2285  0.6172  1.0
  S  S3  4  0.0000  0.0427  0.2500  1.0
  S  S4  4  0.0000  0.5000  0.0000  1.0
]