data_TcAgAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.12
_cell_angle_alpha   98.06
_cell_angle_beta   98.06
_cell_angle_gamma   31.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAgAu2
_chemical_formula_sum   'Tc1 Ag1 Au2'
_cell_volume   68.15
_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  0.49  0.0  0.47  1.0
  Ag  Ag0  1  0.84  0.0  0.82  1.0
  Au  Au1  1  0.26  0.0  0.02  1.0
  Au  Au2  1  0.16  0.0  0.36  1.0

data_TcAgAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   5.07
_cell_length_c   5.12
_cell_angle_alpha   98.06
_cell_angle_beta   90.0
_cell_angle_gamma   105.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAgAu2
_chemical_formula_sum   'Tc1 Ag1 Au2'
_cell_volume   68.15
_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  0.0  0.51  0.53  1.0
  Ag  Ag1  1  0.0  0.16  0.18  1.0
  Au  Au2  1  0.0  0.74  0.98  1.0
  Au  Au3  1  0.0  0.84  0.64  1.0

Tc Ag Au Au