data_[La8Fe2Se12O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Fe  1.8300  1.4000  0.8525
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [9.7944]
_cell_length_b [9.7944]
_cell_length_c [7.1145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [La4FeSe6O]
_chemical_formula_sum '[La8 Fe2 Se12 O2]'
_cell_volume [591.0516]
_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  6  0.1994  0.3988  0.6601  1
  La  La1  2  0.3333  0.6667  0.2084  1
  Fe  Fe2  2  0.0000  0.0000  0.4926  1
  Se  Se3  6  0.0588  0.5294  0.9464  1
  Se  Se4  6  0.1232  0.2463  0.2644  1
  O  O5  2  0.3333  0.6667  0.5437  1
]