data_Be3Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04
_cell_length_b   7.04
_cell_length_c   7.04
_cell_angle_alpha   96.15
_cell_angle_beta   96.15
_cell_angle_gamma   141.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Si5
_chemical_formula_sum   'Be6 Si10'
_cell_volume   203.72
_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  0.0  0.0  0.46  1.0
  Be  Be1  1  0.0  0.0  0.15  1.0
  Be  Be2  1  0.41  0.29  0.0  1.0
  Be  Be3  1  0.29  0.41  0.3  1.0
  Be  Be4  1  0.11  0.41  0.0  1.0
  Be  Be5  1  0.59  0.29  0.3  1.0
  Si  Si6  1  0.7  0.0  0.15  1.0
  Si  Si7  1  0.0  0.7  0.15  1.0
  Si  Si8  1  0.99  0.49  0.0  1.0
  Si  Si9  1  0.71  0.21  0.3  1.0
  Si  Si10  1  0.99  0.91  0.3  1.0
  Si  Si11  1  0.71  0.79  0.0  1.0
  Si  Si12  1  0.79  0.7  0.0  1.0
  Si  Si13  1  0.91  0.01  0.3  1.0
  Si  Si14  1  0.91  0.99  0.0  1.0
  Si  Si15  1  0.79  0.71  0.3  1.0

data_Be3Si5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.61
_cell_length_b   7.04
_cell_length_c   7.04
_cell_angle_alpha   83.85
_cell_angle_beta   70.89
_cell_angle_gamma   70.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Si5
_chemical_formula_sum   'Be6 Si10'
_cell_volume   203.72
_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  0.0  0.0  0.54  1.0
  Be  Be1  1  0.0  0.0  0.85  1.0
  Be  Be2  1  0.29  0.12  -0.0  1.0
  Be  Be3  1  0.29  0.3  0.7  1.0
  Be  Be4  1  0.41  0.7  -0.0  1.0
  Be  Be5  1  0.41  0.88  0.7  1.0
  Si  Si6  1  0.0  0.7  0.85  1.0
  Si  Si7  1  0.01  0.9  0.7  1.0
  Si  Si8  1  0.21  0.5  0.7  1.0
  Si  Si9  1  0.49  0.5  -0.0  1.0
  Si  Si10  1  0.7  0.1  -0.0  1.0
  Si  Si11  1  0.7  0.3  0.85  1.0
  Si  Si12  1  0.71  0.09  0.7  1.0
  Si  Si13  1  0.79  0.91  -0.0  1.0
  Si  Si14  1  0.91  0.09  0.7  1.0
  Si  Si15  1  0.99  0.91  -0.0  1.0

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