data_[Pr4Be2B20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Be  1.5700  1.0500  0.5900
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.6475]
_cell_length_b [11.1496]
_cell_length_c [4.1868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Pr2BeB10]
_chemical_formula_sum '[Pr4 Be2 B20]'
_cell_volume [263.6316]
_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  0.1927  0.3651  0.5000  1
  Be  Be1  2  0.0000  0.0000  0.0000  1
  B  B2  8  0.1970  0.1115  0.2986  1
  B  B3  4  0.0299  0.1868  0.0000  1
  B  B4  4  0.1275  0.5406  0.0000  1
  B  B5  4  0.1625  0.6969  0.0000  1
]