data_[Pa2Tl2Pd2Se8]
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
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2625]
_cell_length_b [5.6755]
_cell_length_c [9.5274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PaTlPdSe4]
_chemical_formula_sum '[Pa2 Tl2 Pd2 Se8]'
_cell_volume [369.1870]
_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  0.2740  0.2500  0.5526  1
  Tl  Tl1  2  0.2556  0.2500  0.0529  1
  Pd  Pd2  2  0.2490  0.7500  0.3082  1
  Se  Se3  4  0.0346  0.5117  0.6989  1
  Se  Se4  2  0.4274  0.7500  0.5866  1
  Se  Se5  2  0.4697  0.7500  0.1567  1
]