data_TcRuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58
_cell_length_b   7.35
_cell_length_c   2.72
_cell_angle_alpha   84.16
_cell_angle_beta   74.92
_cell_angle_gamma   20.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcRuAu
_chemical_formula_sum   'Tc1 Ru1 Au1'
_cell_volume   47.67
_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  Tc2  1  0.43  0.32  0.66  1.0
  Ru  Ru1  1  0.43  0.32  0.77  1.0
  Au  Au0  1  0.43  0.32  0.0  1.0

data_TcRuAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.85
_cell_length_b   14.43
_cell_length_c   2.72
_cell_angle_alpha   90.0
_cell_angle_beta   121.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcRuAu
_chemical_formula_sum   'Tc2 Ru2 Au2'
_cell_volume   95.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.32  0.0  0.91  1.0
  Ru  Ru1  2  0.32  0.0  0.81  1.0
  Au  Au2  2  0.32  0.0  0.57  1.0

Tc Ru Au
Tc Ru Au 0 1 o o o 1 2 o o + 