data_[Pa6Be48C3]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.7977]
_cell_length_b [7.7977]
_cell_length_c [11.0520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Pa2Be16C]
_chemical_formula_sum '[Pa6 Be48 C3]'
_cell_volume [581.9776]
_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  0.3364  1
  Pa  Pa1  3  0.0000  0.0000  0.6717  1
  Be  Be2  18  0.0002  0.2884  0.0027  1
  Be  Be3  9  0.0003  0.5001  0.8402  1
  Be  Be4  9  0.0023  0.5011  0.1626  1
  Be  Be5  9  0.1686  0.3372  0.8345  1
  Be  Be6  3  0.0000  0.0000  0.0697  1
  C  C7  3  0.0000  0.0000  0.8943  1
]