data_NaBeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeSb2
_chemical_formula_sum   'Na1 Be1 Sb2'
_cell_volume   96.35
_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  0.26  0.0  0.4  1.0
  Be  Be0  1  0.0  0.0  0.59  1.0
  Sb  Sb2  1  0.0  0.0  0.12  1.0
  Sb  Sb3  1  0.26  0.0  0.63  1.0

data_NaBeSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeSb2
_chemical_formula_sum   'Na1 Be1 Sb2'
_cell_volume   96.35
_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  0.26  0.0  0.4  1.0
  Be  Be1  1  0.0  0.0  0.59  1.0
  Sb  Sb2  1  0.0  0.0  0.12  1.0
  Sb  Sb3  1  0.26  0.0  0.63  1.0

Na Be Sb Sb
Na Be Sb Sb 0 1 o o o 0 3 o o o 0 2 o o o 1 3 o o o 