data_TaZnNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   133.65
_cell_angle_beta   131.76
_cell_angle_gamma   69.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZnNi2
_chemical_formula_sum   'Ta1 Zn1 Ni2'
_cell_volume   53.1
_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  0.83  0.0  0.82  1.0
  Zn  Zn3  1  0.0  0.0  0.76  1.0
  Ni  Ni0  1  0.0  0.9  0.82  1.0
  Ni  Ni1  1  0.0  0.0  0.91  1.0

data_TaZnNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   3.8
_cell_length_c   4.65
_cell_angle_alpha   114.12
_cell_angle_beta   113.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZnNi2
_chemical_formula_sum   'Ta1 Zn1 Ni2'
_cell_volume   53.1
_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  0.01  0.18  0.01  1.0
  Zn  Zn1  1  0.24  0.24  0.24  1.0
  Ni  Ni2  1  0.09  0.09  0.09  1.0
  Ni  Ni3  1  0.18  0.08  0.08  1.0

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