data_[Pa36Sb18C3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.5052]
_cell_length_b [11.5052]
_cell_length_c [12.4893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pa12Sb6C]
_chemical_formula_sum '[Pa36 Sb18 C3]'
_cell_volume [1431.7219]
_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  18  0.0523  0.8697  0.3102  1
  Pa  Pa1  18  0.0605  0.2037  0.8959  1
  Sb  Sb2  18  0.0246  0.5885  0.2179  1
  C  C3  3  0.0000  0.0000  0.0000  1
]