data_Nb2GeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   5.78
_cell_angle_alpha   103.01
_cell_angle_beta   103.01
_cell_angle_gamma   38.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2GeBr
_chemical_formula_sum   'Nb2 Ge1 Br1'
_cell_volume   73.65
_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  Nb2  1  0.21  0.0  0.28  1.0
  Nb  Nb3  1  0.13  0.0  0.33  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.67  0.0  0.81  1.0

data_Nb2GeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.61
_cell_length_c   5.78
_cell_angle_alpha   103.01
_cell_angle_beta   90.0
_cell_angle_gamma   109.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2GeBr
_chemical_formula_sum   'Nb2 Ge1 Br1'
_cell_volume   73.65
_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  0.79  0.72  1.0
  Nb  Nb1  1  0.0  0.87  0.67  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.0  0.33  0.19  1.0

Nb Nb Ge Br