data_Be2GaB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   2.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2GaB
_chemical_formula_sum   'Be2 Ga1 B1'
_cell_volume   40.74
_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
  Be  Be1  1  0.06  0.65  0.46  1.0
  Be  Be2  1  0.06  0.35  0.46  1.0
  Ga  Ga3  1  0.12  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Be2GaB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   3.92
_cell_length_c   3.92
_cell_angle_alpha   114.47
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2GaB
_chemical_formula_sum   'Be2 Ga1 B1'
_cell_volume   40.74
_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
  Be  Be0  1  0.46  0.06  0.65  1.0
  Be  Be1  1  0.46  0.06  0.35  1.0
  Ga  Ga2  1  0.0  0.12  0.0  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Be Be Ga B