data_Tc2RuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.32
_cell_length_b   9.32
_cell_length_c   9.32
_cell_angle_alpha   17.07
_cell_angle_beta   17.07
_cell_angle_gamma   17.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2RuAu
_chemical_formula_sum   'Tc2 Ru1 Au1'
_cell_volume   60.86
_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  0.0  0.0  0.52  1.0
  Tc  Tc3  1  0.0  0.0  0.03  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.77  1.0

data_Tc2RuAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.79
_cell_length_b   2.77
_cell_length_c   9.32
_cell_angle_alpha   90.0
_cell_angle_beta   99.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tc2RuAu
_chemical_formula_sum   'Tc4 Ru2 Au2'
_cell_volume   121.72
_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  0.0  0.0  0.97  1.0
  Tc  Tc1  2  0.0  0.0  0.48  1.0
  Ru  Ru2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.23  1.0

Tc Tc Ru Au