data_[Pa4Tl4C4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.0747]
_cell_length_b [9.2707]
_cell_length_c [7.8752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PaTlCO5]
_chemical_formula_sum '[Pa4 Tl4 C4 O20]'
_cell_volume [468.8672]
_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  4  0.2500  0.2500  0.5000  1
  Tl  Tl1  4  0.0000  0.4067  0.7500  1
  C  C2  4  0.0000  0.0565  0.7500  1
  O  O3  8  0.0605  0.1454  0.6354  1
  O  O4  8  0.1707  0.0328  0.3609  1
  O  O5  4  0.0000  0.3137  0.2500  1
]