data_[K6Rb3Pr3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Pr  1.1300  1.8500  1.0600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.2797]
_cell_length_b [8.2797]
_cell_length_c [21.8020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2RbPrBr6]
_chemical_formula_sum '[K6 Rb3 Pr3 Br18]'
_cell_volume [1294.3547]
_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
[
  Rb  Rb0  3  0.0000  0.0000  0.1879  1.0
  K  K1  3  0.0000  0.0000  0.4738  1.0
  K  K2  3  0.0000  0.0000  0.9839  1.0
  Pr  Pr3  3  0.0000  0.0000  0.6773  1.0
  Br  Br4  9  0.0019  0.7257  0.5913  1.0
  Br  Br5  9  0.0140  0.3815  0.4140  1.0
]