data_[Pr8B2Cl10]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1727]
_cell_length_b [4.0345]
_cell_length_c [8.2632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4BCl5]
_chemical_formula_sum '[Pr8 B2 Cl10]'
_cell_volume [585.7714]
_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  0.0012  0.0000  0.7776  1
  Pr  Pr1  4  0.1491  0.5000  0.0908  1
  B  B2  2  0.0000  0.5000  0.0000  1
  Cl  Cl3  4  0.1640  0.0000  0.3401  1
  Cl  Cl4  4  0.1698  0.0000  0.8524  1
  Cl  Cl5  2  0.0000  0.5000  0.5000  1
]