data_TcMo2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   3.99
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcMo2Au
_chemical_formula_sum   'Tc1 Mo2 Au1'
_cell_volume   64.01
_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  0.0  1.0
  Mo  Mo1  1  0.37  0.99  0.4  1.0
  Mo  Mo2  1  0.39  0.99  0.26  1.0
  Au  Au0  1  0.96  0.0  0.83  1.0

data_TcMo2Au
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.84
_cell_length_b   3.99
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TcMo2Au
_chemical_formula_sum   'Tc1 Mo2 Au1'
_cell_volume   64.01
_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  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.37  0.0  0.4  1.0
  Mo  Mo2  1  0.39  0.0  0.26  1.0
  Au  Au3  1  0.96  0.0  0.83  1.0

Tc Mo Mo Au