data_NaBe2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   5.77
_cell_angle_alpha   112.08
_cell_angle_beta   112.08
_cell_angle_gamma   51.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBe2Sn
_chemical_formula_sum   'Na1 Be2 Sn1'
_cell_volume   85.19
_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  0.0  0.0  1.0
  Be  Be0  1  0.49  0.0  0.83  1.0
  Be  Be1  1  0.26  0.0  0.41  1.0
  Sn  Sn3  1  0.88  0.0  0.62  1.0

data_NaBe2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   4.54
_cell_length_c   5.77
_cell_angle_alpha   112.08
_cell_angle_beta   90.0
_cell_angle_gamma   115.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBe2Sn
_chemical_formula_sum   'Na1 Be2 Sn1'
_cell_volume   85.19
_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  0.0  0.51  0.17  1.0
  Be  Be2  1  0.0  0.74  0.59  1.0
  Sn  Sn3  1  0.0  0.12  0.38  1.0

Na Be Be Sn