data_Be3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   3.7
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Cd
_chemical_formula_sum   'Be3 Cd1'
_cell_volume   47.51
_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  0.35  0.0  0.43  1.0
  Be  Be1  1  0.0  0.0  0.73  1.0
  Be  Be2  1  0.0  0.85  1.0  1.0
  Cd  Cd3  1  0.35  0.85  0.55  1.0

data_Be3Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   3.7
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Cd
_chemical_formula_sum   'Be3 Cd1'
_cell_volume   47.51
_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  0.73  1.0
  Be  Be1  1  0.0  0.85  1.0  1.0
  Be  Be2  1  0.35  0.0  0.43  1.0
  Cd  Cd3  1  0.35  0.85  0.55  1.0

Be Be Be Cd