data_[Li2Sn2Se6]
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 [P-1]
_cell_length_a [4.0693]
_cell_length_b [7.2200]
_cell_length_c [10.4816]
_cell_angle_alpha [103.2612]
_cell_angle_beta [101.1110]
_cell_angle_gamma [90.0288]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiSnSe3]
_chemical_formula_sum '[Li2 Sn2 Se6]'
_cell_volume [293.7991]
_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
[
  Li  Li0  2  0.4061  0.6603  0.8070  1.0
  Sn  Sn1  2  0.1198  0.8499  0.2423  1.0
  Se  Se2  2  0.0085  0.1728  0.0187  1.0
  Se  Se3  2  0.1474  0.5365  0.3003  1.0
  Se  Se4  2  0.3325  0.9276  0.6622  1.0
]