data_LiSiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   134.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSiSe2
_chemical_formula_sum   'Li1 Si1 Se2'
_cell_volume   102.55
_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  0.0  0.0  0.0  1.0
  Si  Si3  1  0.0  0.0  0.7  1.0
  Se  Se1  1  0.71  0.0  0.97  1.0
  Se  Se2  1  0.71  0.0  0.44  1.0

data_LiSiSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.39
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSiSe2
_chemical_formula_sum   'Li1 Si1 Se2'
_cell_volume   102.55
_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  0.0  0.0  0.0  1.0
  Si  Si1  1  0.0  0.0  0.7  1.0
  Se  Se2  1  0.0  0.71  0.44  1.0
  Se  Se3  1  0.0  0.71  0.97  1.0

Li Si Se Se