data_BeGa2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   146.14
_cell_angle_beta   144.98
_cell_angle_gamma   49.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGa2Sb
_chemical_formula_sum   'Be1 Ga2 Sb1'
_cell_volume   77.74
_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  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.82  0.0  0.28  1.0
  Ga  Ga2  1  0.0  0.88  0.39  1.0
  Sb  Sb3  1  0.0  0.0  0.68  1.0

data_BeGa2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   3.76
_cell_length_c   6.25
_cell_angle_alpha   107.51
_cell_angle_beta   106.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGa2Sb
_chemical_formula_sum   'Be1 Ga2 Sb1'
_cell_volume   77.74
_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  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.54  0.72  0.54  1.0
  Ga  Ga2  1  0.61  0.49  0.49  1.0
  Sb  Sb3  1  0.32  0.32  0.32  1.0

Be Ga Ga Sb
Be Ga Ga Sb 0 3 o o - 1 2 + - o 2 3 o + o 