data_ZrTaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   3.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaNi
_chemical_formula_sum   'Zr1 Ta1 Ni1'
_cell_volume   53.13
_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
  Zr  Zr2  1  0.0  0.54  0.15  1.0
  Ta  Ta1  1  0.2  0.27  0.63  1.0
  Ni  Ni0  1  0.0  0.0  0.39  1.0

data_ZrTaNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaNi
_chemical_formula_sum   'Zr1 Ta1 Ni1'
_cell_volume   53.13
_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
  Zr  Zr0  1  0.15  0.0  0.54  1.0
  Ta  Ta1  1  0.63  0.2  0.27  1.0
  Ni  Ni2  1  0.39  0.0  0.0  1.0

Zr Ta Ni
Zr Ta Ni 0 2 o + o 0 2 o o o 0 1 o o - 0 1 o o o 1 2 o o o 