data_TaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   4.41
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   94.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNi
_chemical_formula_sum   'Ta2 Ni2'
_cell_volume   57.37
_cell_formula_units_Z   2
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  0.23  0.1  0.28  1.0
  Ta  Ta3  1  0.11  0.31  0.45  1.0
  Ni  Ni0  1  0.04  0.31  0.91  1.0
  Ni  Ni1  1  0.3  0.1  0.81  1.0

data_TaNi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.75
_cell_length_b   4.41
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   94.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaNi
_chemical_formula_sum   'Ta2 Ni2'
_cell_volume   57.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.06  0.9  0.92  1.0
  Ni  Ni1  2  0.13  0.9  0.45  1.0

Ta Ta Ni Ni