data_[Pa2Tl6Sb4Se12]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2851]
_cell_length_b [12.5938]
_cell_length_c [8.2460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9448]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaTl3(SbSe3)2]
_chemical_formula_sum '[Pa2 Tl6 Sb4 Se12]'
_cell_volume [723.7004]
_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  0.1647  0.5000  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Sb  Sb3  4  0.0000  0.3326  0.0000  1
  Se  Se4  8  0.2309  0.1640  0.2041  1
  Se  Se5  4  0.2416  0.5000  0.2051  1
]