data_LiSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   3.99
_cell_angle_alpha   107.25
_cell_angle_beta   107.25
_cell_angle_gamma   36.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSe3
_chemical_formula_sum   'Li1 Se3'
_cell_volume   85.13
_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
  Se  Se1  1  0.19  0.0  0.89  1.0
  Se  Se2  1  0.71  0.0  0.98  1.0
  Se  Se3  1  0.67  0.0  0.81  1.0

data_LiSe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.99
_cell_length_c   6.12
_cell_angle_alpha   107.25
_cell_angle_beta   108.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSe3
_chemical_formula_sum   'Li1 Se3'
_cell_volume   85.13
_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
  Se  Se1  1  0.0  0.81  0.67  1.0
  Se  Se2  1  0.0  0.89  0.19  1.0
  Se  Se3  1  0.0  0.98  0.71  1.0

Li Se Se Se