data_MnNbFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   153.45
_cell_angle_beta   153.45
_cell_angle_gamma   37.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNbFe
_chemical_formula_sum   'Mn1 Nb1 Fe1'
_cell_volume   39.1
_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  0.9  1.0
  Nb  Nb2  1  0.0  0.0  0.32  1.0
  Fe  Fe0  1  0.0  0.0  0.76  1.0

data_MnNbFe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   108.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnNbFe
_chemical_formula_sum   'Mn2 Nb2 Fe2'
_cell_volume   78.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.1  1.0
  Nb  Nb1  2  0.0  0.0  0.68  1.0
  Fe  Fe2  2  0.0  0.0  0.24  1.0

Mn Nb Fe