data_[Pr10B2Br10]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9792]
_cell_length_b [5.9052]
_cell_length_c [8.8034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5BBr5]
_chemical_formula_sum '[Pr10 B2 Br10]'
_cell_volume [637.5762]
_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  0.1436  0.0000  0.2836  1
  Pr  Pr1  4  0.1620  0.0000  0.8726  1
  Pr  Pr2  2  0.0000  0.5000  0.0000  1
  B  B3  2  0.0000  0.0000  0.0000  1
  Br  Br4  4  0.1493  0.5000  0.7937  1
  Br  Br5  4  0.1699  0.5000  0.3489  1
  Br  Br6  2  0.0000  0.0000  0.5000  1
]