data_Ba2NaBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.65
_cell_length_b   7.65
_cell_length_c   7.65
_cell_angle_alpha   149.81
_cell_angle_beta   135.23
_cell_angle_gamma   54.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NaBe
_chemical_formula_sum   'Ba2 Na1 Be1'
_cell_volume   157.61
_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
  Ba  Ba0  1  0.0  0.0  0.53  1.0
  Ba  Ba1  1  0.0  0.91  0.53  1.0
  Na  Na3  1  0.99  0.0  0.36  1.0
  Be  Be2  1  0.0  0.0  0.74  1.0

data_Ba2NaBe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   5.83
_cell_length_c   7.65
_cell_angle_alpha   112.38
_cell_angle_beta   105.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NaBe
_chemical_formula_sum   'Ba2 Na1 Be1'
_cell_volume   157.61
_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
  Ba  Ba0  1  0.47  0.39  0.39  1.0
  Ba  Ba1  1  0.47  0.47  0.47  1.0
  Na  Na2  1  0.63  0.64  0.63  1.0
  Be  Be3  1  0.26  0.26  0.26  1.0

Ba Ba Na Be