data_Na2BeGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   3.02
_cell_angle_alpha   94.1
_cell_angle_beta   94.1
_cell_angle_gamma   122.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BeGa
_chemical_formula_sum   'Na2 Be1 Ga1'
_cell_volume   77.95
_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  0.11  0.55  0.49  1.0
  Na  Na3  1  0.11  0.45  0.49  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.66  0.0  0.0  1.0

data_Na2BeGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   5.33
_cell_length_c   5.58
_cell_angle_alpha   61.47
_cell_angle_beta   85.9
_cell_angle_gamma   81.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BeGa
_chemical_formula_sum   'Na2 Be1 Ga1'
_cell_volume   77.95
_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  0.51  0.45  0.66  1.0
  Na  Na1  1  0.51  0.55  0.56  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Ga  Ga3  1  0.0  0.0  0.66  1.0

Na Na Be Ga
Na Na Be Ga 0 1 o o o 2 3 - o o 