data_[Pr10S10N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7947]
_cell_length_b [5.7051]
_cell_length_c [8.0021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4813]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5S5N]
_chemical_formula_sum '[Pr10 S10 N2]'
_cell_volume [553.9847]
_cell_formula_units_Z [2]
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  0.1488  0.0000  0.8397  1.0
  Pr  Pr1  4  0.1560  0.0000  0.3170  1.0
  Pr  Pr2  2  0.0000  0.5000  0.0000  1.0
  S  S3  4  0.1682  0.5000  0.8362  1.0
  S  S4  4  0.1752  0.5000  0.3301  1.0
  S  S5  2  0.0000  0.0000  0.5000  1.0
  N  N6  2  0.0000  0.0000  0.0000  1.0
]