data_[In8Pd24Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.9803]
_cell_length_b [9.7021]
_cell_length_c [7.0022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5682]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [InPd3Se]
_chemical_formula_sum '[In8 Pd24 Se8]'
_cell_volume [718.5926]
_cell_formula_units_Z [8]
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
[
  In  In0  4  0.0000  0.0305  0.7500  1
  In  In1  4  0.0000  0.3636  0.2500  1
  Pd  Pd2  8  0.1300  0.1686  0.0965  1
  Pd  Pd3  8  0.1480  0.1609  0.5201  1
  Pd  Pd4  8  0.2070  0.4611  0.1188  1
  Se  Se5  8  0.1375  0.3405  0.7800  1
]