data_BeNb2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   2.87
_cell_angle_alpha   95.52
_cell_angle_beta   95.52
_cell_angle_gamma   106.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Ge
_chemical_formula_sum   'Be1 Nb2 Ge1'
_cell_volume   60.95
_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
  Nb  Nb2  1  0.19  0.89  0.42  1.0
  Nb  Nb3  1  0.19  0.11  0.42  1.0
  Ge  Ge1  1  0.84  0.0  0.0  1.0

data_BeNb2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   106.34
_cell_angle_beta   95.52
_cell_angle_gamma   95.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Ge
_chemical_formula_sum   'Be1 Nb2 Ge1'
_cell_volume   60.95
_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
  Nb  Nb1  1  0.42  0.19  0.11  1.0
  Nb  Nb2  1  0.42  0.19  0.89  1.0
  Ge  Ge3  1  -0.0  0.84  0.0  1.0

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