data_[La2Sc2Pd2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [P2_1/m]
_cell_length_a [7.5614]
_cell_length_b [3.9778]
_cell_length_c [9.4130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaScPdSe3]
_chemical_formula_sum '[La2 Sc2 Pd2 Se6]'
_cell_volume [273.9714]
_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
[
  La  La0  2  0.2221  0.2500  0.2878  1.0
  Sc  Sc1  2  0.3110  0.7500  0.8269  1.0
  Pd  Pd2  2  0.1007  0.2500  0.5992  1.0
  Se  Se3  2  0.0749  0.2500  0.8626  1.0
  Se  Se4  2  0.2990  0.7500  0.5395  1.0
  Se  Se5  2  0.4254  0.7500  0.1357  1.0
]