data_[Pr24Rh9Br9N3]
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
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1702]
_cell_length_b [8.1702]
_cell_length_c [23.3118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr8Rh3Br3N]
_chemical_formula_sum '[Pr24 Rh9 Br9 N3]'
_cell_volume [1347.6351]
_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  0.0238  0.5119  0.7292  1
  Pr  Pr1  6  0.0000  0.0000  0.2667  1
  Rh  Rh2  9  0.0000  0.5000  0.0000  1
  Br  Br3  9  0.0000  0.5000  0.5000  1
  N  N4  3  -0.0000  -0.0000  0.0000  1
]