data_[Pr8Au4Br10]
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 [Immm]
_cell_length_a [4.0204]
_cell_length_b [8.6065]
_cell_length_c [28.1692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr4Au2Br5]
_chemical_formula_sum '[Pr8 Au4 Br10]'
_cell_volume [974.7062]
_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  0.0000  0.0000  0.3485  1
  Pr  Pr1  4  0.0000  0.2876  0.0000  1
  Au  Au2  4  0.0000  0.0000  0.4496  1
  Br  Br3  8  0.0000  0.2703  0.1796  1
  Br  Br4  2  0.0000  0.5000  0.5000  1
]