data_[Rb8Pa4Hg4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pa  1.5000  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4185]
_cell_length_b [22.1854]
_cell_length_c [15.3827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2PaHgTe5]
_chemical_formula_sum '[Rb8 Pa4 Hg4 Te20]'
_cell_volume [1507.9248]
_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
[
  Rb  Rb0  4  0.0000  0.1235  0.6949  1
  Rb  Rb1  4  0.0000  0.1326  0.3248  1
  Pa  Pa2  4  0.0000  0.2037  0.0112  1
  Hg  Hg3  4  0.0000  0.4475  0.4339  1
  Te  Te4  4  0.0000  0.0668  0.0498  1
  Te  Te5  4  0.0000  0.2985  0.6448  1
  Te  Te6  4  0.0000  0.3041  0.3755  1
  Te  Te7  4  0.0000  0.3344  0.0132  1
  Te  Te8  4  0.0000  0.4989  0.7758  1
]