data_Na2LiBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   5.11
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   99.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LiBe
_chemical_formula_sum   'Na2 Li1 Be1'
_cell_volume   85.27
_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
  Na  Na2  1  0.98  0.55  0.48  1.0
  Na  Na3  1  0.01  0.55  0.17  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Be  Be0  1  1.0  0.0  0.83  1.0

data_Na2LiBe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.11
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   99.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LiBe
_chemical_formula_sum   'Na2 Li1 Be1'
_cell_volume   85.27
_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
  Na  Na0  1  0.01  0.55  0.17  1.0
  Na  Na1  1  0.98  0.55  0.48  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Be  Be3  1  1.0  0.0  0.83  1.0

Na Na Li Be
Na Na Li Be 0 1 + o o 2 3 - o - 