data_BeCdGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   3.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCdGa2
_chemical_formula_sum   'Be1 Cd1 Ga2'
_cell_volume   69.66
_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
  Cd  Cd1  1  0.63  0.0  0.0  1.0
  Ga  Ga2  1  0.32  0.02  0.67  1.0
  Ga  Ga3  1  0.32  0.98  0.67  1.0

data_BeCdGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   112.81
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCdGa2
_chemical_formula_sum   'Be1 Cd1 Ga2'
_cell_volume   69.66
_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
  Cd  Cd1  1  0.0  0.63  0.0  1.0
  Ga  Ga2  1  0.67  0.32  0.02  1.0
  Ga  Ga3  1  0.67  0.32  0.98  1.0

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