data_BeNb2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   136.35
_cell_angle_beta   127.61
_cell_angle_gamma   70.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Ge
_chemical_formula_sum   'Be1 Nb2 Ge1'
_cell_volume   60.71
_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  0.0  0.14  0.03  1.0
  Nb  Nb3  1  0.8  0.0  0.92  1.0
  Ge  Ge1  1  0.0  0.0  0.95  1.0

data_BeNb2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   4.27
_cell_length_c   4.84
_cell_angle_alpha   116.19
_cell_angle_beta   111.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Ge
_chemical_formula_sum   'Be1 Nb2 Ge1'
_cell_volume   60.71
_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  0.88  0.08  0.88  1.0
  Nb  Nb2  1  0.97  0.11  0.11  1.0
  Ge  Ge3  1  0.05  0.05  0.05  1.0

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