data_Be3Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   3.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Ge
_chemical_formula_sum   'Be6 Ge2'
_cell_volume   87.77
_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  0.85  0.75  0.8  1.0
  Be  Be1  1  0.85  0.25  0.93  1.0
  Be  Be2  1  0.56  0.58  0.8  1.0
  Be  Be3  1  0.13  0.42  0.93  1.0
  Be  Be4  1  0.56  0.42  0.93  1.0
  Be  Be5  1  0.13  0.58  0.8  1.0
  Ge  Ge6  1  0.85  0.7  0.8  1.0
  Ge  Ge7  1  0.85  0.3  0.93  1.0

data_Be3Ge
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.73
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   110.77
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Be3Ge
_chemical_formula_sum   'Be6 Ge2'
_cell_volume   87.77
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.43  0.22  0.58  1.0
  Be  Be1  2  0.43  0.5  0.75  1.0
  Be  Be2  2  0.43  0.78  0.58  1.0
  Ge  Ge3  2  0.43  0.5  0.7  1.0

Be Be Be Be Be Be Ge Ge