data_NbFeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.69
_cell_length_c   2.7
_cell_angle_alpha   81.77
_cell_angle_beta   75.23
_cell_angle_gamma   22.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFeMo
_chemical_formula_sum   'Nb1 Fe1 Mo1'
_cell_volume   45.34
_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  0.61  0.17  0.4  1.0
  Fe  Fe0  1  0.61  0.17  0.03  1.0
  Mo  Mo1  1  0.61  0.17  0.55  1.0

data_NbFeMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.22
_cell_length_b   12.98
_cell_length_c   2.7
_cell_angle_alpha   90.0
_cell_angle_beta   126.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbFeMo
_chemical_formula_sum   'Nb2 Fe2 Mo2'
_cell_volume   90.69
_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
  Nb  Nb0  2  0.17  0.0  0.99  1.0
  Fe  Fe1  2  0.17  0.0  0.36  1.0
  Mo  Mo2  2  0.17  0.0  0.84  1.0

Nb Fe Mo