data_[Pr12Rh2Cl22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Rh  2.2800  1.3500  0.7450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4650]
_cell_length_b [12.8256]
_cell_length_c [7.3861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8556]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6RhCl11]
_chemical_formula_sum '[Pr12 Rh2 Cl22]'
_cell_volume [987.8028]
_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  8  0.1388  0.1554  0.7698  1
  Pr  Pr1  4  0.1939  0.0000  0.2385  1
  Rh  Rh2  2  0.0000  0.0000  0.0000  1
  Cl  Cl3  8  0.1224  0.2167  0.3636  1
  Cl  Cl4  8  0.1528  0.3564  0.9430  1
  Cl  Cl5  4  0.1933  0.5000  0.3653  1
  Cl  Cl6  2  0.0000  0.0000  0.5000  1
]