data_NbCoNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.61
_cell_length_b   3.73
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   91.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCoNi2
_chemical_formula_sum   'Nb1 Co1 Ni2'
_cell_volume   49.57
_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  0.92  0.0  0.54  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.19  0.86  0.9  1.0
  Ni  Ni3  1  0.26  0.86  0.18  1.0

data_NbCoNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   3.73
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   91.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCoNi2
_chemical_formula_sum   'Nb1 Co1 Ni2'
_cell_volume   49.57
_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  0.92  0.0  0.54  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.19  0.86  0.9  1.0
  Ni  Ni3  1  0.26  0.86  0.18  1.0

Nb Co Ni Ni