data_BeSi2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   5.63
_cell_angle_alpha   117.42
_cell_angle_beta   117.42
_cell_angle_gamma   47.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSi2B
_chemical_formula_sum   'Be1 Si2 B1'
_cell_volume   52.86
_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  0.0  0.0  1.0
  Si  Si2  1  0.03  0.0  0.12  1.0
  Si  Si3  1  0.13  0.0  0.75  1.0
  B  B0  1  0.58  0.0  0.43  1.0

data_BeSi2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.83
_cell_length_c   5.15
_cell_angle_alpha   76.09
_cell_angle_beta   72.45
_cell_angle_gamma   66.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSi2B
_chemical_formula_sum   'Be1 Si2 B1'
_cell_volume   52.86
_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  0.0  1.0
  Si  Si1  1  0.0  0.39  0.75  1.0
  Si  Si2  1  0.0  0.91  0.12  1.0
  B  B3  1  0.0  0.15  0.43  1.0

Be Si Si B