data_[Pa10Pd4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8862]
_cell_length_b [7.1655]
_cell_length_c [8.9733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa5(PdSe6)2]
_chemical_formula_sum '[Pa10 Pd4 Se24]'
_cell_volume [981.1939]
_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  4  0.1765  0.5000  0.8507  1
  Pa  Pa1  4  0.1878  0.5000  0.3383  1
  Pa  Pa2  2  0.0000  0.0000  0.5000  1
  Pd  Pd3  4  0.0000  0.2841  0.0000  1
  Se  Se4  8  0.1556  0.2469  0.5737  1
  Se  Se5  8  0.1713  0.2466  0.0926  1
  Se  Se6  4  0.0036  0.5000  0.2511  1
  Se  Se7  4  0.0050  0.0000  0.7944  1
]