data_Nb2GeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   4.74
_cell_angle_alpha   103.34
_cell_angle_beta   103.34
_cell_angle_gamma   38.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2GeTe
_chemical_formula_sum   'Nb2 Ge1 Te1'
_cell_volume   75.55
_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
  Nb  Nb1  1  0.39  0.0  0.27  1.0
  Nb  Nb2  1  0.99  0.0  0.4  1.0
  Ge  Ge0  1  0.52  0.0  0.79  1.0
  Te  Te3  1  0.28  0.0  0.03  1.0

data_Nb2GeTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.74
_cell_length_c   5.11
_cell_angle_alpha   103.34
_cell_angle_beta   109.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2GeTe
_chemical_formula_sum   'Nb2 Ge1 Te1'
_cell_volume   75.55
_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
  Nb  Nb0  1  0.0  0.27  0.39  1.0
  Nb  Nb1  1  0.0  0.4  0.99  1.0
  Ge  Ge2  1  0.0  0.79  0.52  1.0
  Te  Te3  1  0.0  0.03  0.28  1.0

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