data_TcAsAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   151.07
_cell_angle_beta   142.51
_cell_angle_gamma   48.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAsAu2
_chemical_formula_sum   'Tc1 As1 Au2'
_cell_volume   71.28
_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  0.0  0.0  0.7  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.0  0.01  0.44  1.0
  Au  Au2  1  0.56  0.0  0.26  1.0

data_TcAsAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.01
_cell_length_c   6.24
_cell_angle_alpha   108.74
_cell_angle_beta   104.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAsAu2
_chemical_formula_sum   'Tc1 As1 Au2'
_cell_volume   71.28
_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  0.7  0.7  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.0  0.26  0.7  1.0
  Au  Au3  1  0.99  0.44  0.44  1.0

Tc As Au Au