data_MnNb2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   144.57
_cell_angle_beta   132.6
_cell_angle_gamma   60.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNb2Ge
_chemical_formula_sum   'Mn1 Nb2 Ge1'
_cell_volume   61.84
_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
  Mn  Mn1  1  0.0  0.0  0.83  1.0
  Nb  Nb2  1  0.0  0.12  0.39  1.0
  Nb  Nb3  1  0.0  0.0  0.22  1.0
  Ge  Ge0  1  0.0  0.12  0.21  1.0

data_MnNb2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.24
_cell_length_c   5.27
_cell_angle_alpha   113.7
_cell_angle_beta   107.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNb2Ge
_chemical_formula_sum   'Mn1 Nb2 Ge1'
_cell_volume   61.84
_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
  Mn  Mn0  1  0.0  0.83  0.83  1.0
  Nb  Nb1  1  0.0  0.22  0.22  1.0
  Nb  Nb2  1  0.88  0.27  0.27  1.0
  Ge  Ge3  1  0.88  0.09  0.09  1.0

Mn Nb Nb Ge
Mn Nb Nb Ge 0 3 o o + 1 2 o o o 2 3 o o o 