data_[Li2Sb2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2963]
_cell_length_b [6.2431]
_cell_length_c [7.5078]
_cell_angle_alpha [73.7703]
_cell_angle_beta [89.9015]
_cell_angle_gamma [71.0872]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiSbSe]
_chemical_formula_sum '[Li2 Sb2 Se2]'
_cell_volume [182.0383]
_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  1  0.4565  0.5078  0.0137  1.0
  Li  Li1  1  0.8917  0.6355  0.4775  1.0
  Sb  Sb2  1  0.1538  0.0792  0.7952  1.0
  Sb  Sb3  1  0.6369  0.1172  0.5233  1.0
  Se  Se4  1  0.4277  0.5607  0.3364  1.0
  Se  Se5  1  0.9605  0.5005  0.8340  1.0
]