data_[Pa12Cr4B28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Cr  1.6600  1.4000  0.9400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5193]
_cell_length_b [15.8187]
_cell_length_c [9.3299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pa3CrB7]
_chemical_formula_sum '[Pa12 Cr4 B28]'
_cell_volume [519.4043]
_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  0.0000  0.1055  0.0612  1
  Pa  Pa1  4  0.0000  0.2465  0.7500  1
  Cr  Cr2  4  0.0000  0.0518  0.7500  1
  B  B3  8  0.0000  0.2751  0.0343  1
  B  B4  8  0.0000  0.3685  0.1540  1
  B  B5  8  0.0000  0.4781  0.0948  1
  B  B6  4  0.0000  0.4604  0.7500  1
]