data_NaLaBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   3.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaBe
_chemical_formula_sum   'Na1 La1 Be1'
_cell_volume   72.67
_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  0.0  0.93  0.66  1.0
  La  La1  1  0.53  0.46  0.1  1.0
  Be  Be0  1  0.0  0.0  0.78  1.0

data_NaLaBe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaBe
_chemical_formula_sum   'Na1 La1 Be1'
_cell_volume   72.67
_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  0.66  -0.0  0.93  1.0
  La  La1  1  0.1  0.53  0.46  1.0
  Be  Be2  1  0.78  0.0  0.0  1.0

Na La Be
Na La Be 0 2 o + o 0 1 o + + 0 1 o + o 0 1 - o + 0 1 - o o 1 2 o o - 1 2 o o o 1 2 + + - 1 2 + + o 1 1 o o + 