data_[Pa12B4C20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.5319]
_cell_length_b [6.5319]
_cell_length_c [10.5996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Pa3BC5]
_chemical_formula_sum '[Pa12 B4 C20]'
_cell_volume [452.2442]
_cell_formula_units_Z [4]
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
[
  Pa  Pa0  8  0.1716  0.3284  0.0000  1
  Pa  Pa1  4  0.0000  0.0000  0.2500  1
  B  B2  4  0.0000  0.5000  0.2500  1
  C  C3  16  0.1445  0.3555  0.3466  1
  C  C4  4  0.0000  0.0000  0.0000  1
]