data_LiAsSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   141.84
_cell_angle_beta   141.84
_cell_angle_gamma   55.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAsSe2
_chemical_formula_sum   'Li1 As1 Se2'
_cell_volume   79.33
_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  Li1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.94  0.63  1.0
  Se  Se2  1  0.94  0.0  0.63  1.0
  Se  Se3  1  0.0  0.0  0.26  1.0

data_LiAsSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   5.94
_cell_angle_alpha   109.08
_cell_angle_beta   109.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAsSe2
_chemical_formula_sum   'Li1 As1 Se2'
_cell_volume   79.33
_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
  As  As1  1  0.69  0.63  0.69  1.0
  Se  Se2  1  0.26  0.26  0.26  1.0
  Se  Se3  1  0.63  0.69  0.69  1.0

Li As Se Se