data_TaNiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   144.52
_cell_angle_beta   134.98
_cell_angle_gamma   58.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNiAu
_chemical_formula_sum   'Ta1 Ni1 Au1'
_cell_volume   46.34
_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  0.0  0.0  0.75  1.0
  Ni  Ni1  1  0.0  0.0  0.68  1.0
  Au  Au0  1  0.0  0.0  0.03  1.0

data_TaNiAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   3.71
_cell_length_c   4.85
_cell_angle_alpha   112.51
_cell_angle_beta   107.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNiAu
_chemical_formula_sum   'Ta1 Ni1 Au1'
_cell_volume   46.34
_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  0.25  0.25  0.25  1.0
  Ni  Ni1  1  0.32  0.32  0.32  1.0
  Au  Au2  1  0.97  0.97  0.97  1.0

Ta Ni Au