data_TcNiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   3.59
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcNiAu2
_chemical_formula_sum   'Tc1 Ni1 Au2'
_cell_volume   62.53
_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
  Tc  Tc3  1  0.37  0.8  0.51  1.0
  Ni  Ni2  1  0.0  0.0  0.37  1.0
  Au  Au0  1  0.0  0.0  0.22  1.0
  Au  Au1  1  0.37  0.8  0.75  1.0

data_TcNiAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   3.59
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcNiAu2
_chemical_formula_sum   'Tc1 Ni1 Au2'
_cell_volume   62.53
_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
  Tc  Tc0  1  0.37  0.8  0.51  1.0
  Ni  Ni1  1  0.0  0.0  0.37  1.0
  Au  Au2  1  0.0  0.0  0.22  1.0
  Au  Au3  1  0.37  0.8  0.75  1.0

Tc Ni Au Au