data_NbNiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   151.22
_cell_angle_beta   142.46
_cell_angle_gamma   47.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNiMo
_chemical_formula_sum   'Nb1 Ni1 Mo1'
_cell_volume   45.91
_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  Nb1  1  0.0  0.0  0.64  1.0
  Ni  Ni2  1  0.0  0.0  0.39  1.0
  Mo  Mo0  1  0.0  0.0  0.69  1.0

data_NbNiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   3.47
_cell_length_c   5.4
_cell_angle_alpha   108.77
_cell_angle_beta   104.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNiMo
_chemical_formula_sum   'Nb1 Ni1 Mo1'
_cell_volume   45.91
_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  0.64  0.64  1.0
  Ni  Ni1  1  0.0  0.39  0.39  1.0
  Mo  Mo2  1  0.0  0.69  0.69  1.0

Nb Ni Mo