data_[Pr12P4S6N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  P  2.1900  1.0000  0.5500
  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 [17.9008]
_cell_length_b [4.0466]
_cell_length_c [8.2335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2204]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6P2S3N]
_chemical_formula_sum '[Pr12 P4 S6 N2]'
_cell_volume [578.1286]
_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  0.0002  0.0000  0.2193  1.0
  Pr  Pr1  4  0.1509  0.5000  0.0780  1.0
  Pr  Pr2  4  0.1667  0.5000  0.5806  1.0
  P  P3  4  0.1654  0.0000  0.3313  1.0
  S  S4  4  0.1693  0.0000  0.8365  1.0
  S  S5  2  0.0000  0.5000  0.5000  1.0
  N  N6  2  0.0000  0.5000  0.0000  1.0
]