data_Nb2ReGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   142.03
_cell_angle_beta   129.57
_cell_angle_gamma   64.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ReGe
_chemical_formula_sum   'Nb2 Re1 Ge1'
_cell_volume   65.48
_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  0.0  0.21  0.14  1.0
  Nb  Nb2  1  0.69  0.0  0.24  1.0
  Re  Re3  1  0.0  0.0  0.38  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Nb2ReGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.42
_cell_length_c   5.19
_cell_angle_alpha   115.21
_cell_angle_beta   108.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ReGe
_chemical_formula_sum   'Nb2 Re1 Ge1'
_cell_volume   65.48
_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  0.45  0.76  0.45  1.0
  Nb  Nb1  1  0.86  0.07  0.07  1.0
  Re  Re2  1  0.62  0.62  0.62  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Nb Nb Re Ge