data_[Sr4Sc4Pd4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sc  1.3600  1.6000  0.8850
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.4610]
_cell_length_b [4.0068]
_cell_length_c [10.5005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SrScPdSe3]
_chemical_formula_sum '[Sr4 Sc4 Pd4 Se12]'
_cell_volume [566.3583]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  4  0.2295  0.2500  0.5509  1
  Sc  Sc1  4  0.0198  0.2500  0.8304  1
  Pd  Pd2  4  0.0016  0.2500  0.4080  1
  Se  Se3  4  0.0988  0.2500  0.0690  1
  Se  Se4  4  0.1083  0.7500  0.3686  1
  Se  Se5  4  0.1489  0.7500  0.7620  1
]