data_Tc2AgAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   137.29
_cell_angle_beta   137.29
_cell_angle_gamma   61.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2AgAu
_chemical_formula_sum   'Tc2 Ag1 Au1'
_cell_volume   64.04
_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  0.89  0.23  1.0
  Tc  Tc3  1  0.89  0.0  0.23  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.0  0.0  0.46  1.0

data_Tc2AgAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   121.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tc2AgAu
_chemical_formula_sum   'Tc4 Ag2 Au2'
_cell_volume   128.08
_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  4  0.05  0.05  0.34  1.0
  Ag  Ag1  2  0.0  0.0  0.0  1.0
  Au  Au2  2  0.0  0.0  0.46  1.0

Tc Tc Ag Au