data_NaBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.31
_cell_length_b   7.19
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBe2
_chemical_formula_sum   'Na2 Be4'
_cell_volume   79.44
_cell_formula_units_Z   2
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  Na4  1  0.0  0.0  0.0  1.0
  Na  Na5  1  0.16  0.6  0.39  1.0
  Be  Be0  1  0.76  0.61  0.0  1.0
  Be  Be1  1  0.56  0.59  0.0  1.0
  Be  Be2  1  0.6  0.99  0.39  1.0
  Be  Be3  1  0.71  0.2  0.39  1.0

data_NaBe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.31
_cell_length_b   4.77
_cell_length_c   7.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBe2
_chemical_formula_sum   'Na2 Be4'
_cell_volume   79.44
_cell_formula_units_Z   2
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  0.0  0.0  0.0  1.0
  Na  Na1  1  0.84  0.61  0.4  1.0
  Be  Be2  1  0.24  -0.0  0.39  1.0
  Be  Be3  1  0.29  0.61  0.8  1.0
  Be  Be4  1  0.4  0.61  0.01  1.0
  Be  Be5  1  0.44  -0.0  0.41  1.0

Na Na Be Be Be Be
Na Na Be Be Be Be 0 4 - - o 0 4 o - o 0 5 - o o 0 0 + o o 1 3 - o o 1 3 o o o 1 2 - o o 1 2 o o o 1 1 + o o 2 3 o o o 4 5 o + o 