data_[Pr12Ge2C4Cl6]
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
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4656]
_cell_length_b [3.9405]
_cell_length_c [8.5603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9728]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6GeC2Cl3]
_chemical_formula_sum '[Pr12 Ge2 C4 Cl6]'
_cell_volume [592.4912]
_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  0.0245  0.0000  0.2577  1.0
  Pr  Pr1  4  0.1683  0.5000  0.1370  1.0
  Pr  Pr2  4  0.1814  0.5000  0.5567  1.0
  Ge  Ge3  2  0.0000  0.5000  0.0000  1.0
  C  C4  4  0.1703  0.0000  0.3382  1.0
  Cl  Cl5  4  0.1648  0.0000  0.8308  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]