data_Be2NbGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   137.73
_cell_angle_beta   137.67
_cell_angle_gamma   61.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NbGe
_chemical_formula_sum   'Be2 Nb1 Ge1'
_cell_volume   50.93
_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  0.05  1.0
  Be  Be1  1  0.75  0.0  0.96  1.0
  Nb  Nb3  1  0.0  0.75  0.12  1.0
  Ge  Ge2  1  0.0  0.0  0.19  1.0

data_Be2NbGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.5
_cell_length_c   4.85
_cell_angle_alpha   111.17
_cell_angle_beta   111.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NbGe
_chemical_formula_sum   'Be2 Nb1 Ge1'
_cell_volume   50.93
_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  0.05  0.05  1.0
  Be  Be1  1  0.0  0.96  0.21  1.0
  Nb  Nb2  1  0.25  0.37  0.37  1.0
  Ge  Ge3  1  0.0  0.19  0.19  1.0

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