data_NaBe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   3.48
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBe2Au
_chemical_formula_sum   'Na1 Be2 Au1'
_cell_volume   63.31
_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  0.0  0.0  0.0  1.0
  Be  Be1  1  0.4  0.74  0.38  1.0
  Be  Be2  1  0.4  0.74  0.14  1.0
  Au  Au0  1  0.0  0.0  0.26  1.0

data_NaBe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.48
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBe2Au
_chemical_formula_sum   'Na1 Be2 Au1'
_cell_volume   63.31
_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  0.0  0.0  0.0  1.0
  Be  Be1  1  0.4  0.74  0.14  1.0
  Be  Be2  1  0.4  0.74  0.38  1.0
  Au  Au3  1  0.0  0.0  0.26  1.0

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