data_[K4Li2Pr2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6853]
_cell_length_b [8.0410]
_cell_length_c [13.2641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5505]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2LiPrBr6]
_chemical_formula_sum '[K4 Li2 Pr2 Br12]'
_cell_volume [675.1175]
_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
[
  K  K0  4  0.2776  0.0730  0.2539  1.0
  Li  Li1  2  0.5000  0.0000  0.0000  1.0
  Pr  Pr2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1579  0.0246  0.7586  1.0
  Br  Br4  4  0.2508  0.6984  0.5499  1.0
  Br  Br5  4  0.3573  0.2037  0.5514  1.0
]