data_TaNbNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   3.82
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   94.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNbNi2
_chemical_formula_sum   'Ta1 Nb1 Ni2'
_cell_volume   57.19
_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
  Ta  Ta3  1  0.8  0.0  0.73  1.0
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.27  0.91  0.37  1.0
  Ni  Ni2  1  0.07  0.91  0.09  1.0

data_TaNbNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   3.82
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   94.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNbNi2
_chemical_formula_sum   'Ta1 Nb1 Ni2'
_cell_volume   57.19
_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
  Ta  Ta0  1  0.8  0.0  0.73  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.07  0.91  0.09  1.0
  Ni  Ni3  1  0.27  0.91  0.37  1.0

Ta Nb Ni Ni
Ta Nb Ni Ni 0 1 + o + 1 3 o - o 2 3 o o o 