data_NbFeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   144.16
_cell_angle_beta   128.03
_cell_angle_gamma   64.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFeMo2
_chemical_formula_sum   'Nb1 Fe1 Mo2'
_cell_volume   60.45
_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  Nb3  1  0.57  0.0  0.3  1.0
  Fe  Fe0  1  0.0  0.0  0.14  1.0
  Mo  Mo1  1  0.0  0.23  0.31  1.0
  Mo  Mo2  1  0.0  0.0  0.49  1.0

data_NbFeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.47
_cell_length_c   5.1
_cell_angle_alpha   115.98
_cell_angle_beta   107.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFeMo2
_chemical_formula_sum   'Nb1 Fe1 Mo2'
_cell_volume   60.45
_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  0.0  0.3  0.73  1.0
  Fe  Fe1  1  0.0  0.14  0.14  1.0
  Mo  Mo2  1  0.0  0.49  0.49  1.0
  Mo  Mo3  1  0.77  0.07  0.07  1.0

Nb Fe Mo Mo