data_[Pr12Ge2N4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ge  2.0100  1.2500  0.7700
  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 [18.3954]
_cell_length_b [3.9087]
_cell_length_c [8.4421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3987]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6GeN2Cl3]
_chemical_formula_sum '[Pr12 Ge2 N4 Cl6]'
_cell_volume [572.5355]
_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  0.0286  0.0000  0.2584  1.0
  Pr  Pr1  4  0.1673  0.5000  0.1352  1.0
  Pr  Pr2  4  0.1833  0.5000  0.5523  1.0
  Ge  Ge3  2  0.0000  0.5000  0.0000  1.0
  N  N4  4  0.1733  0.0000  0.3409  1.0
  Cl  Cl5  4  0.1628  0.0000  0.8269  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]