data_Na4Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   99.69
_cell_angle_beta   99.69
_cell_angle_gamma   131.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na4Be
_chemical_formula_sum   'Na4 Be1'
_cell_volume   134.78
_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  Na1  1  0.96  0.61  0.0  1.0
  Na  Na2  1  0.61  0.56  0.0  1.0
  Na  Na3  1  0.8  0.15  0.39  1.0
  Na  Na4  1  0.15  0.2  0.39  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_Na4Be
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.78
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   80.31
_cell_angle_beta   65.78
_cell_angle_gamma   65.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na4Be
_chemical_formula_sum   'Na4 Be1'
_cell_volume   134.78
_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  0.56  -0.0  0.05  1.0
  Na  Na1  1  0.61  -0.0  0.35  1.0
  Na  Na2  1  0.76  0.39  0.65  1.0
  Na  Na3  1  0.81  0.39  0.95  1.0
  Be  Be4  1  0.0  0.0  0.0  1.0

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