data_[Pr8Au4Br4]
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/m]
_cell_length_a [14.8235]
_cell_length_b [4.0426]
_cell_length_c [8.2905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8263]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2AuBr]
_chemical_formula_sum '[Pr8 Au4 Br4]'
_cell_volume [489.5240]
_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  0.0052  0.5000  0.2790  1.0
  Pr  Pr1  4  0.2469  0.0000  0.3055  1.0
  Au  Au2  4  0.1046  0.0000  0.5383  1.0
  Br  Br3  4  0.1469  0.5000  0.0361  1.0
]