data_[Li2Sn2Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.3601]
_cell_length_b [5.2549]
_cell_length_c [20.7454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Li2Sn2Se3]
_chemical_formula_sum '[Li2 Sn2 Se3]'
_cell_volume [475.3161]
_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
[
  Li  Li0  2  0.0000  0.5000  0.4210  1
  Sn  Sn1  2  0.5000  0.0000  0.4014  1
  Se  Se2  2  0.5000  0.5000  0.3615  1
  Se  Se3  1  0.0000  0.0000  0.5000  1
]