data_[Pr8Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.1549]
_cell_length_b [9.0053]
_cell_length_c [19.5238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Pr4Br9]
_chemical_formula_sum '[Pr8 Br18]'
_cell_volume [2664.5182]
_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  0.2443  0.2171  0.5027  1
  Pr  Pr1  2  0.4563  0.0000  0.5152  1
  Pr  Pr2  2  0.4953  0.5000  0.4511  1
  Br  Br3  4  0.0615  0.2993  0.4168  1
  Br  Br4  4  0.4171  0.3120  0.5641  1
  Br  Br5  2  0.1147  0.0000  0.5676  1
  Br  Br6  2  0.1636  0.5000  0.5780  1
  Br  Br7  2  0.1996  0.0000  0.3906  1
  Br  Br8  2  0.3072  0.5000  0.4081  1
  Br  Br9  2  0.3176  0.0000  0.6223  1
]