data_[Pr24Zn3P9Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3884]
_cell_length_b [8.3884]
_cell_length_c [21.0215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr8ZnP3Cl4]
_chemical_formula_sum '[Pr24 Zn3 P9 Cl12]'
_cell_volume [1281.0048]
_cell_formula_units_Z [3]
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  18  0.0068  0.5034  0.7583  1.0
  Pr  Pr1  6  0.0000  0.0000  0.2390  1.0
  Zn  Zn2  3  -0.0000  -0.0000  0.5000  1.0
  P  P3  9  0.0000  0.5000  0.5000  1.0
  Cl  Cl4  9  0.0000  0.5000  0.0000  1.0
  Cl  Cl5  3  0.0000  0.0000  0.0000  1.0
]