data_Be3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   3.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Cd
_chemical_formula_sum   'Be6 Cd2'
_cell_volume   93.51
_cell_formula_units_Z   2
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  0.62  0.08  0.73  1.0
  Be  Be1  1  0.38  0.08  0.73  1.0
  Be  Be2  1  0.0  0.27  0.73  1.0
  Be  Be3  1  0.1  0.64  0.91  1.0
  Be  Be4  1  0.34  0.64  0.91  1.0
  Be  Be5  1  0.72  0.44  0.91  1.0
  Cd  Cd6  1  0.72  0.57  0.73  1.0
  Cd  Cd7  1  0.0  0.14  0.91  1.0

data_Be3Cd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.65
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Be3Cd
_chemical_formula_sum   'Be6 Cd2'
_cell_volume   93.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.41  0.02  0.72  1.0
  Be  Be1  2  0.41  0.26  0.72  1.0
  Be  Be2  2  0.41  0.64  0.91  1.0
  Cd  Cd3  2  0.41  0.36  0.21  1.0

Be Be Be Be Be Be Cd Cd