data_[Ho4Pa2Tl4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Pa  1.5000  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1858]
_cell_length_b [12.4555]
_cell_length_c [8.2185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Pa(TlSe3)2]
_chemical_formula_sum '[Ho4 Pa2 Tl4 Se12]'
_cell_volume [703.2288]
_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
[
  Ho  Ho0  4  0.0000  0.3330  0.5000  1
  Pa  Pa1  2  0.0000  0.0000  0.5000  1
  Tl  Tl2  4  0.0000  0.1667  0.0000  1
  Se  Se3  8  0.2327  0.1662  0.7016  1
  Se  Se4  4  0.2362  0.5000  0.7021  1
]