data_NaBeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   5.37
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeBi2
_chemical_formula_sum   'Na1 Be1 Bi2'
_cell_volume   105.63
_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  Na3  1  0.68  0.69  0.08  1.0
  Be  Be0  1  0.08  0.0  0.22  1.0
  Bi  Bi1  1  0.44  0.69  0.33  1.0
  Bi  Bi2  1  0.41  0.0  0.91  1.0

data_NaBeBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.37
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeBi2
_chemical_formula_sum   'Na1 Be1 Bi2'
_cell_volume   105.63
_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  0.68  0.69  0.08  1.0
  Be  Be1  1  0.08  0.0  0.22  1.0
  Bi  Bi2  1  0.41  0.0  0.91  1.0
  Bi  Bi3  1  0.44  0.69  0.33  1.0

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