data_[Pr12S4N8]
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 [Cmcm]
_cell_length_a [3.8994]
_cell_length_b [13.0536]
_cell_length_c [10.1679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3SN2]
_chemical_formula_sum '[Pr12 S4 N8]'
_cell_volume [517.5589]
_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  8  0.0000  0.3779  0.5680  1
  Pr  Pr1  4  0.0000  0.0705  0.7500  1
  S  S2  4  0.0000  0.2518  0.2500  1
  N  N3  4  0.0000  0.0000  0.0000  1
  N  N4  4  0.0000  0.4730  0.7500  1
]