data_[Pr12Ge2P4Cl6]
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
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6662]
_cell_length_b [4.2047]
_cell_length_c [8.5665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6GeP2Cl3]
_chemical_formula_sum '[Pr12 Ge2 P4 Cl6]'
_cell_volume [649.8608]
_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  0.0092  0.0000  0.2404  1.0
  Pr  Pr1  4  0.1617  0.5000  0.1068  1.0
  Pr  Pr2  4  0.1748  0.5000  0.5625  1.0
  Ge  Ge3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.1677  0.0000  0.3346  1.0
  Cl  Cl5  4  0.1653  0.0000  0.8328  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]