data_BeGe2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.39
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGe2B
_chemical_formula_sum   'Be1 Ge2 B1'
_cell_volume   53.73
_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
  Ge  Ge2  1  0.62  0.0  0.44  1.0
  Ge  Ge3  1  0.62  0.7  0.0  1.0
  B  B0  1  0.0  0.7  0.44  1.0

data_BeGe2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.39
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGe2B
_chemical_formula_sum   'Be1 Ge2 B1'
_cell_volume   53.73
_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
  Ge  Ge1  1  0.62  0.0  0.44  1.0
  Ge  Ge2  1  0.62  0.7  0.0  1.0
  B  B3  1  0.0  0.7  0.44  1.0

Be Ge Ge B
Be Ge Ge B 0 2 - - o 1 3 + - o 