data_[Sb2Pd6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  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 [10.2543]
_cell_length_b [3.8523]
_cell_length_c [11.6789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6336]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sb(PdSe2)3]
_chemical_formula_sum '[Sb2 Pd6 Se12]'
_cell_volume [439.6669]
_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
[
  Sb  Sb0  2  0.0056  0.2500  0.3110  1.0
  Pd  Pd1  2  0.1587  0.7500  0.0661  1.0
  Pd  Pd2  2  0.3562  0.2500  0.5431  1.0
  Pd  Pd3  2  0.4525  0.7500  0.8414  1.0
  Se  Se4  2  0.0796  0.2500  0.9052  1.0
  Se  Se5  2  0.1626  0.7500  0.4722  1.0
  Se  Se6  2  0.2168  0.2500  0.2133  1.0
  Se  Se7  2  0.2965  0.2500  0.7398  1.0
  Se  Se8  2  0.3978  0.7500  0.0503  1.0
  Se  Se9  2  0.4763  0.2500  0.3737  1.0
]