data_[Th6Pa3Be9Co36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Pa  1.5000  1.8000  1.0400
  Be  1.5700  1.0500  0.5900
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.0196]
_cell_length_b [7.0196]
_cell_length_c [18.5000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Th2Pa(BeCo4)3]
_chemical_formula_sum '[Th6 Pa3 Be9 Co36]'
_cell_volume [789.4586]
_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
[
  Th  Th0  6  0.0000  0.0000  0.3954  1
  Pa  Pa1  3  0.0000  0.0000  0.0000  1
  Be  Be2  9  0.0000  0.5000  0.5000  1
  Co  Co3  18  0.0190  0.5095  0.8629  1
  Co  Co4  18  0.0577  0.5288  0.3814  1
]