data_[Pr4Au8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.3714]
_cell_length_b [12.9253]
_cell_length_c [7.5235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr(AuBr3)2]
_chemical_formula_sum '[Pr4 Au8 Br24]'
_cell_volume [1464.3735]
_cell_formula_units_Z [4]
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  0.0000  0.0908  0.2500  1.0
  Au  Au1  8  0.1248  0.4102  0.1490  1.0
  Br  Br2  8  0.1021  0.0770  0.6229  1.0
  Br  Br3  8  0.1210  0.4205  0.5033  1.0
  Br  Br4  8  0.1457  0.2177  0.1642  1.0
]