data_[Pr16Si4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.0590]
_cell_length_b [18.3975]
_cell_length_c [6.9439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr4SiN]
_chemical_formula_sum '[Pr16 Si4 N4]'
_cell_volume [646.2823]
_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  0.0868  0.2375  1
  Pr  Pr1  4  0.0000  0.2914  0.9260  1
  Pr  Pr2  4  0.0000  0.3389  0.4302  1
  Pr  Pr3  4  0.0000  0.4689  0.0794  1
  Si  Si4  4  0.0000  0.1466  0.6580  1
  N  N5  4  0.0000  0.4084  0.7355  1
]