data_BeSiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   3.8
_cell_length_c   4.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSiGe2
_chemical_formula_sum   'Be1 Si1 Ge2'
_cell_volume   62.93
_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  Si3  1  0.81  0.0  0.29  1.0
  Ge  Ge1  1  0.0  0.9  0.29  1.0
  Ge  Ge2  1  0.81  0.9  0.0  1.0

data_BeSiGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.8
_cell_length_c   4.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSiGe2
_chemical_formula_sum   'Be1 Si1 Ge2'
_cell_volume   62.93
_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  0.81  0.0  0.29  1.0
  Ge  Ge2  1  0.0  0.9  0.29  1.0
  Ge  Ge3  1  0.81  0.9  -0.0  1.0

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