data_Be3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   7.53
_cell_length_c   4.65
_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   'Be12 Cu4'
_cell_volume   143.53
_cell_formula_units_Z   4
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  0.31  0.65  0.09  1.0
  Be  Be1  1  0.73  0.88  0.76  1.0
  Be  Be2  1  0.36  0.65  0.89  1.0
  Be  Be3  1  0.78  0.88  0.57  1.0
  Be  Be4  1  0.03  0.01  0.72  1.0
  Be  Be5  1  0.11  0.52  0.05  1.0
  Be  Be6  1  0.98  0.76  0.61  1.0
  Be  Be7  1  0.07  0.77  0.93  1.0
  Be  Be8  1  0.07  0.52  0.93  1.0
  Be  Be9  1  0.98  0.01  0.61  1.0
  Be  Be10  1  0.11  0.77  0.05  1.0
  Be  Be11  1  0.03  0.76  0.72  1.0
  Cu  Cu12  1  0.31  0.65  0.83  1.0
  Cu  Cu13  1  0.73  0.88  0.15  1.0
  Cu  Cu14  1  0.36  0.65  0.5  1.0
  Cu  Cu15  1  0.78  0.88  0.83  1.0

data_Be3Cu
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.1
_cell_length_b   4.65
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Be3Cu
_chemical_formula_sum   'Be12 Cu4'
_cell_volume   143.53
_cell_formula_units_Z   4
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  0.19  0.93  0.12  1.0
  Be  Be1  2  0.23  0.74  0.12  1.0
  Be  Be2  2  0.43  0.78  0.24  1.0
  Be  Be3  2  0.43  0.78  0.99  1.0
  Be  Be4  2  0.48  0.89  0.99  1.0
  Be  Be5  2  0.48  0.89  0.24  1.0
  Cu  Cu6  2  0.19  0.33  0.12  1.0
  Cu  Cu7  2  0.23  1.0  0.12  1.0

Be Be Be Be Be Be Be Be Be Be Be Be Cu Cu Cu Cu
Be Be Be Be Be Be Be Be Be Be Be Be Cu Cu Cu Cu 0 2 o o - 0 14 o o o 1 15 o o o 1 3 o o o 1 13 o o + 2 12 o o o 2 14 o o o 3 13 o o o 4 9 - o o 5 8 o o - 6 11 + o o 6 14 + o o 7 10 o o + 7 13 - o + 10 13 - o o 11 14 o o o 12 14 o o o 13 15 o o - 