data_[Pr8Al2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2570]
_cell_length_b [4.1739]
_cell_length_c [8.9766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4AlBr5]
_chemical_formula_sum '[Pr8 Al2 Br10]'
_cell_volume [701.6700]
_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  0.0005  0.0000  0.2361  1.0
  Pr  Pr1  4  0.1544  0.5000  0.0846  1.0
  Al  Al2  2  0.0000  0.5000  0.0000  1.0
  Br  Br3  4  0.1665  0.0000  0.3305  1.0
  Br  Br4  4  0.1712  0.0000  0.8440  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]