data_NaBe2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   5.52
_cell_angle_alpha   105.71
_cell_angle_beta   105.71
_cell_angle_gamma   58.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBe2Ag
_chemical_formula_sum   'Na1 Be2 Ag1'
_cell_volume   74.3
_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  0.37  0.0  0.77  1.0
  Be  Be2  1  0.06  0.0  0.48  1.0
  Ag  Ag0  1  0.71  0.0  0.63  1.0

data_NaBe2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   4.08
_cell_length_c   5.52
_cell_angle_alpha   105.71
_cell_angle_beta   90.0
_cell_angle_gamma   119.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBe2Ag
_chemical_formula_sum   'Na1 Be2 Ag1'
_cell_volume   74.3
_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  0.63  0.23  1.0
  Be  Be2  1  0.0  0.94  0.52  1.0
  Ag  Ag3  1  0.0  0.29  0.37  1.0

Na Be Be Ag