data_[Pr2B4Cl2O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2515]
_cell_length_b [6.6095]
_cell_length_c [8.1862]
_cell_angle_alpha [82.1251]
_cell_angle_beta [89.0229]
_cell_angle_gamma [72.2045]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PrB2ClO4]
_chemical_formula_sum '[Pr2 B4 Cl2 O8]'
_cell_volume [216.8889]
_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  2  0.2069  0.0340  0.2219  1.0
  B  B1  2  0.1690  0.3483  0.8513  1.0
  B  B2  2  0.4336  0.4378  0.1957  1.0
  Cl  Cl3  2  0.1461  0.1996  0.5432  1.0
  O  O4  2  0.0955  0.4645  0.1791  1.0
  O  O5  2  0.1626  0.1527  0.9214  1.0
  O  O6  2  0.3698  0.7643  0.7893  1.0
  O  O7  2  0.4819  0.3723  0.8154  1.0
]