data_[Pr12Si2N4Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3563]
_cell_length_b [3.8994]
_cell_length_c [8.4601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6SiN2Cl3]
_chemical_formula_sum '[Pr12 Si2 N4 Cl6]'
_cell_volume [569.5454]
_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  0.0261  0.0000  0.2538  1.0
  Pr  Pr1  4  0.1658  0.5000  0.1333  1.0
  Pr  Pr2  4  0.1830  0.5000  0.5514  1.0
  Si  Si3  2  0.0000  0.5000  0.0000  1.0
  N  N4  4  0.1730  0.0000  0.3412  1.0
  Cl  Cl5  4  0.1628  0.0000  0.8268  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]