data_[Pa6Be48Cr3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Be  1.5700  1.0500  0.5900
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.9054]
_cell_length_b [7.9054]
_cell_length_c [11.0954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Pa2Be16Cr]
_chemical_formula_sum '[Pa6 Be48 Cr3]'
_cell_volume [600.5104]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3465  1
  Pa  Pa1  3  0.0000  0.0000  0.6790  1
  Be  Be2  18  0.0014  0.2716  0.9969  1
  Be  Be3  9  0.0020  0.5010  0.8434  1
  Be  Be4  9  0.0047  0.5024  0.1622  1
  Be  Be5  9  0.1705  0.8295  0.8339  1
  Be  Be6  3  0.0000  0.0000  0.0928  1
  Cr  Cr7  3  0.0000  0.0000  0.8814  1
]