data_[La6Sn2Se6O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.1593]
_cell_length_b [4.1363]
_cell_length_c [13.4232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [La3SnSe3O4]
_chemical_formula_sum '[La6 Sn2 Se6 O8]'
_cell_volume [453.0180]
_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  0.2557  0.0000  0.6807  1
  La  La1  2  0.5000  0.0000  0.9986  1
  Sn  Sn2  2  0.0000  0.0000  0.0168  1
  Se  Se3  4  0.1778  0.0000  0.3586  1
  Se  Se4  2  0.5000  0.0000  0.3127  1
  O  O5  4  0.2534  0.0000  0.0922  1
  O  O6  2  0.0000  0.0000  0.6088  1
  O  O7  2  0.5000  0.0000  0.5827  1
]