data_Be3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   11.33
_cell_length_c   4.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Cu
_chemical_formula_sum   'Be18 Cu6'
_cell_volume   212.75
_cell_formula_units_Z   6
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  0.49  0.88  0.67  1.0
  Be  Be1  1  0.49  0.45  0.67  1.0
  Be  Be2  1  0.49  0.66  0.05  1.0
  Be  Be3  1  0.48  0.0  1.0  1.0
  Be  Be4  1  0.48  0.54  0.37  1.0
  Be  Be5  1  0.48  0.78  0.37  1.0
  Be  Be6  1  0.0  0.0  0.02  1.0
  Be  Be7  1  0.0  0.54  0.35  1.0
  Be  Be8  1  0.0  0.78  0.35  1.0
  Be  Be9  1  0.16  0.88  0.67  1.0
  Be  Be10  1  0.16  0.45  0.67  1.0
  Be  Be11  1  0.16  0.66  0.05  1.0
  Be  Be12  1  0.17  0.0  1.0  1.0
  Be  Be13  1  0.17  0.54  0.37  1.0
  Be  Be14  1  0.17  0.78  0.37  1.0
  Be  Be15  1  0.32  0.66  0.03  1.0
  Be  Be16  1  0.32  0.88  0.69  1.0
  Be  Be17  1  0.32  0.45  0.69  1.0
  Cu  Cu18  1  0.0  0.66  0.02  1.0
  Cu  Cu19  1  0.0  0.89  0.69  1.0
  Cu  Cu20  1  0.0  0.44  0.69  1.0
  Cu  Cu21  1  0.32  0.0  0.02  1.0
  Cu  Cu22  1  0.32  0.55  0.35  1.0
  Cu  Cu23  1  0.32  0.77  0.35  1.0

data_Be3Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.65
_cell_length_c   11.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Cu
_chemical_formula_sum   'Be18 Cu6'
_cell_volume   212.75
_cell_formula_units_Z   6
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  0.02  0.0  0.0  1.0
  Be  Be1  1  0.03  0.32  0.66  1.0
  Be  Be2  1  0.05  0.16  0.66  1.0
  Be  Be3  1  0.05  0.49  0.66  1.0
  Be  Be4  1  0.35  0.0  0.54  1.0
  Be  Be5  1  0.35  0.0  0.78  1.0
  Be  Be6  1  0.37  0.17  0.54  1.0
  Be  Be7  1  0.37  0.17  0.78  1.0
  Be  Be8  1  0.37  0.48  0.54  1.0
  Be  Be9  1  0.37  0.48  0.78  1.0
  Be  Be10  1  0.67  0.16  0.45  1.0
  Be  Be11  1  0.67  0.16  0.88  1.0
  Be  Be12  1  0.67  0.49  0.45  1.0
  Be  Be13  1  0.67  0.49  0.88  1.0
  Be  Be14  1  0.69  0.32  0.45  1.0
  Be  Be15  1  0.69  0.32  0.88  1.0
  Be  Be16  1  1.0  0.17  0.0  1.0
  Be  Be17  1  1.0  0.48  0.0  1.0
  Cu  Cu18  1  0.02  0.0  0.66  1.0
  Cu  Cu19  1  0.02  0.32  0.0  1.0
  Cu  Cu20  1  0.35  0.32  0.55  1.0
  Cu  Cu21  1  0.35  0.32  0.77  1.0
  Cu  Cu22  1  0.69  0.0  0.44  1.0
  Cu  Cu23  1  0.69  0.0  0.89  1.0

Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Cu Cu Cu Cu Cu Cu