data_[La4Pr2Sc2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0234]
_cell_length_b [7.7460]
_cell_length_c [12.4101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La2PrScSe6]
_chemical_formula_sum '[La4 Pr2 Sc2 Se12]'
_cell_volume [569.3319]
_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  4  0.2977  0.6021  0.7559  1.0
  Pr  Pr1  2  0.0000  0.0000  0.5000  1.0
  Sc  Sc2  2  0.5000  0.0000  0.0000  1.0
  Se  Se3  4  0.1179  0.5492  0.2641  1.0
  Se  Se4  4  0.2591  0.1757  0.0725  1.0
  Se  Se5  4  0.4087  0.6935  0.0712  1.0
]