data_[La6Al3Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [10.6941]
_cell_length_b [10.6941]
_cell_length_c [6.2097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [La6Al3Se14]
_chemical_formula_sum '[La6 Al3 Se14]'
_cell_volume [615.0135]
_cell_formula_units_Z [1]
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  3  0.1029  0.8048  0.7482  1
  La  La1  3  0.4720  0.0335  0.2525  1
  Al  Al2  1  0.0000  0.0000  0.1634  1
  Al  Al3  1  0.3333  0.6667  0.5195  1
  Al  Al4  1  0.6667  0.3333  0.6621  1
  Se  Se5  3  0.0959  0.5173  0.7490  1
  Se  Se6  3  0.1878  0.7572  0.2879  1
  Se  Se7  3  0.2385  0.0872  0.0194  1
  Se  Se8  3  0.4282  0.2437  0.5177  1
  Se  Se9  1  0.0000  0.0000  0.5442  1
  Se  Se10  1  0.6667  0.3333  0.0437  1
]