data_LiSiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   28.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSiSe2
_chemical_formula_sum   'Li1 Si1 Se2'
_cell_volume   79.05
_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  0.61  1.0
  Si  Si3  1  0.46  0.0  0.95  1.0
  Se  Se1  1  0.46  0.0  0.33  1.0
  Se  Se2  1  0.0  0.0  0.37  1.0

data_LiSiSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.92
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   104.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSiSe2
_chemical_formula_sum   'Li1 Si1 Se2'
_cell_volume   79.05
_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  0.39  0.0  0.39  1.0
  Si  Si1  1  0.05  0.46  0.05  1.0
  Se  Se2  1  0.63  0.0  0.63  1.0
  Se  Se3  1  0.67  0.46  0.67  1.0

Li Si Se Se
Li Si Se Se 0 3 o o o 0 2 o o o 1 1 o + - 1 2 o o + 2 3 o o o 2 3 + o o 2 2 o + - 