data_[Pa4Tl4Fe4O20]
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
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.0557]
_cell_length_b [10.0736]
_cell_length_c [8.1550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4131]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PaTlFeO5]
_chemical_formula_sum '[Pa4 Tl4 Fe4 O20]'
_cell_volume [527.8025]
_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  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.0000  0.3247  0.2500  1
  Fe  Fe2  4  0.0000  0.3112  0.7500  1
  O  O3  8  0.1225  0.1994  0.6311  1
  O  O4  8  0.1934  0.4250  0.9201  1
  O  O5  4  0.0000  0.0771  0.2500  1
]