data_[Pa2Tl6Rh4Se12]
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
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3333]
_cell_length_b [10.9919]
_cell_length_c [8.9944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaTl3(RhSe3)2]
_chemical_formula_sum '[Pa2 Tl6 Rh4 Se12]'
_cell_volume [607.4984]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.0000  0.1694  0.5000  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Rh  Rh3  4  0.0000  0.3337  0.0000  1
  Se  Se4  8  0.2453  0.1847  0.1779  1
  Se  Se5  4  0.1931  0.5000  0.1783  1
]