data_NbFeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   2.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFeMo
_chemical_formula_sum   'Nb1 Fe1 Mo1'
_cell_volume   45.82
_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  0.0  0.58  0.78  1.0
  Fe  Fe0  1  0.0  0.0  0.01  1.0
  Mo  Mo1  1  0.23  0.29  0.86  1.0

data_NbFeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFeMo
_chemical_formula_sum   'Nb1 Fe1 Mo1'
_cell_volume   45.82
_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  0.78  -0.0  0.58  1.0
  Fe  Fe1  1  0.01  0.0  0.0  1.0
  Mo  Mo2  1  0.86  0.23  0.29  1.0

Nb Fe Mo
Nb Fe Mo 0 1 o + + 0 2 o o o 1 2 o o - 