data_Tc2PtAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   4.12
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2PtAu
_chemical_formula_sum   'Tc2 Pt1 Au1'
_cell_volume   62.75
_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  0.38  0.06  0.23  1.0
  Tc  Tc3  1  0.38  0.06  0.29  1.0
  Pt  Pt1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.76  1.0

data_Tc2PtAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.12
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2PtAu
_chemical_formula_sum   'Tc2 Pt1 Au1'
_cell_volume   62.75
_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  0.38  0.06  0.23  1.0
  Tc  Tc1  1  0.38  0.06  0.29  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.0  0.76  1.0

Tc Tc Pt Au
Tc Tc Pt Au 0 1 o o o 2 3 o o - 