data_[Pa4Hg4Se4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.8392]
_cell_length_b [9.7076]
_cell_length_c [8.2943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7039]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PaHgSeO5]
_chemical_formula_sum '[Pa4 Hg4 Se4 O20]'
_cell_volume [568.7372]
_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
  Hg  Hg1  4  0.0000  0.4376  0.7500  1
  Se  Se2  4  0.0000  0.0429  0.7500  1
  O  O3  8  0.0578  0.1571  0.6244  1
  O  O4  8  0.2202  0.4599  0.5595  1
  O  O5  4  0.0000  0.2567  0.2500  1
]