data_Be2SiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   4.14
_cell_angle_alpha   134.66
_cell_angle_beta   134.66
_cell_angle_gamma   66.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2SiB
_chemical_formula_sum   'Be2 Si1 B1'
_cell_volume   35.47
_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  Be1  1  0.0  0.6  0.74  1.0
  Be  Be2  1  0.6  0.0  0.74  1.0
  Si  Si3  1  0.0  0.0  0.48  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Be2SiB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   4.14
_cell_angle_alpha   90.0
_cell_angle_beta   123.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2SiB
_chemical_formula_sum   'Be4 Si2 B2'
_cell_volume   70.95
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.06  0.2  0.86  1.0
  Si  Si1  2  0.02  0.5  0.52  1.0
  B  B2  2  0.0  0.0  0.0  1.0

Be Be Si B
Be Be Si B 0 3 o + + 0 2 o o o 0 2 o + + 1 3 + o + 1 2 + o + 1 2 o o o 2 3 o o o 2 3 o o + 