data_NaBe2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.53
_cell_length_b   3.56
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   97.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBe2Ga
_chemical_formula_sum   'Na1 Be2 Ga1'
_cell_volume   61.16
_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  0.95  0.0  0.25  1.0
  Be  Be0  1  0.98  0.78  0.8  1.0
  Be  Be1  1  0.26  0.0  0.17  1.0
  Ga  Ga2  1  0.24  0.78  0.97  1.0

data_NaBe2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.53
_cell_length_b   3.56
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   97.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBe2Ga
_chemical_formula_sum   'Na1 Be2 Ga1'
_cell_volume   61.16
_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  0.95  0.0  0.25  1.0
  Be  Be1  1  0.26  0.0  0.17  1.0
  Be  Be2  1  0.98  0.78  0.8  1.0
  Ga  Ga3  1  0.24  0.78  0.97  1.0

Na Be Be Ga