data_[Li1Sn1Sb2Se4]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0306]
_cell_length_b [4.4145]
_cell_length_c [7.1318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7204]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiSn(SbSe2)2]
_chemical_formula_sum '[Li1 Sn1 Sb2 Se4]'
_cell_volume [205.6302]
_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  0.0000  0.0000  0.0000  1
  Sn  Sn1  1  0.0000  0.5000  0.5000  1
  Sb  Sb2  1  0.5000  0.0000  0.5000  1
  Sb  Sb3  1  0.5000  0.5000  0.0000  1
  Se  Se4  2  0.2527  0.5000  0.2457  1
  Se  Se5  2  0.2546  0.0000  0.7548  1
]