data_TcBAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   6.69
_cell_length_c   6.69
_cell_angle_alpha   25.57
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBAu2
_chemical_formula_sum   'Tc1 B1 Au2'
_cell_volume   57.87
_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  0.5  0.0  0.52  1.0
  B  B2  1  0.0  0.0  0.47  1.0
  Au  Au0  1  0.0  0.0  0.09  1.0
  Au  Au1  1  0.5  0.0  0.6  1.0

data_TcBAu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.96
_cell_length_b   2.99
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   102.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TcBAu2
_chemical_formula_sum   'Tc1 B1 Au2'
_cell_volume   57.87
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.48  0.0  0.48  1.0
  B  B1  1  0.53  0.5  0.53  1.0
  Au  Au2  1  0.4  0.0  0.4  1.0
  Au  Au3  1  0.91  0.5  0.91  1.0

Tc B Au Au