data_LiBeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   4.18
_cell_angle_alpha   97.46
_cell_angle_beta   97.46
_cell_angle_gamma   32.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeSe2
_chemical_formula_sum   'Li1 Be1 Se2'
_cell_volume   81.79
_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  0.9  0.0  0.19  1.0
  Be  Be0  1  0.91  0.0  0.02  1.0
  Se  Se2  1  0.58  0.0  0.96  1.0
  Se  Se3  1  0.15  0.0  0.05  1.0

data_LiBeSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.18
_cell_length_c   6.04
_cell_angle_alpha   97.46
_cell_angle_beta   106.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeSe2
_chemical_formula_sum   'Li1 Be1 Se2'
_cell_volume   81.79
_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  0.19  0.9  1.0
  Be  Be1  1  0.0  0.02  0.91  1.0
  Se  Se2  1  0.0  0.05  0.15  1.0
  Se  Se3  1  0.0  0.96  0.58  1.0

Li Be Se Se