data_[Pr8B2Br4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  B  2.0400  0.8500  0.4100
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6568]
_cell_length_b [4.0471]
_cell_length_c [8.2802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4BBr2Cl3]
_chemical_formula_sum '[Pr8 B2 Br4 Cl6]'
_cell_volume [604.9367]
_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  0.0003  0.0000  0.2228  1
  Pr  Pr1  4  0.1457  0.5000  0.0895  1
  B  B2  2  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.1700  0.0000  0.8335  1
  Cl  Cl4  4  0.1608  0.0000  0.3379  1
  Cl  Cl5  2  0.0000  0.5000  0.5000  1
]