data_NbNiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   2.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNiMo2
_chemical_formula_sum   'Nb1 Ni1 Mo2'
_cell_volume   61.71
_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  0.72  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.36  0.15  0.32  1.0
  Mo  Mo1  1  0.36  0.85  0.32  1.0

data_NbNiMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   115.35
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNiMo2
_chemical_formula_sum   'Nb1 Ni1 Mo2'
_cell_volume   61.71
_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  0.72  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.32  0.36  0.15  1.0
  Mo  Mo3  1  0.32  0.36  0.85  1.0

Nb Ni Mo Mo