data_[Li2Si1Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.8569]
_cell_length_b [7.9730]
_cell_length_c [19.5885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Li2SiSe3]
_chemical_formula_sum '[Li2 Si1 Se3]'
_cell_volume [446.1915]
_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  1  0.5000  0.0000  0.5332  1
  Li  Li1  1  0.5000  0.5000  0.5147  1
  Si  Si2  1  0.0000  0.0000  0.3877  1
  Se  Se3  2  0.0000  0.2242  0.4711  1
  Se  Se4  1  0.0000  0.5000  0.6220  1
]