data_TaNbNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.42
_cell_length_c   2.78
_cell_angle_alpha   79.59
_cell_angle_beta   75.62
_cell_angle_gamma   24.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNbNi
_chemical_formula_sum   'Ta1 Nb1 Ni1'
_cell_volume   46.93
_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  Ta2  1  0.8  0.12  0.97  1.0
  Nb  Nb0  1  0.8  0.12  0.13  1.0
  Ni  Ni1  1  0.8  0.12  0.23  1.0

data_TaNbNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.59
_cell_length_b   12.33
_cell_length_c   2.78
_cell_angle_alpha   90.0
_cell_angle_beta   130.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaNbNi
_chemical_formula_sum   'Ta2 Nb2 Ni2'
_cell_volume   93.86
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.12  0.0  0.24  1.0
  Nb  Nb1  2  0.12  0.0  0.07  1.0
  Ni  Ni2  2  0.12  0.0  0.98  1.0

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