data_LiBe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBe2Sb
_chemical_formula_sum   'Li1 Be2 Sb1'
_cell_volume   58.6
_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  Li2  1  0.0  0.0  0.51  1.0
  Be  Be0  1  0.0  0.0  0.64  1.0
  Be  Be1  1  0.82  0.0  0.21  1.0
  Sb  Sb3  1  0.82  0.0  0.58  1.0

data_LiBe2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBe2Sb
_chemical_formula_sum   'Li1 Be2 Sb1'
_cell_volume   58.6
_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  0.51  1.0
  Be  Be1  1  0.0  0.0  0.64  1.0
  Be  Be2  1  0.82  0.0  0.21  1.0
  Sb  Sb3  1  0.82  0.0  0.58  1.0

Li Be Be Sb
Li Be Be Sb 0 3 - o o 0 2 - o o 1 3 - o o 2 3 o o o 