data_TcW2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.84
_cell_angle_alpha   101.55
_cell_angle_beta   101.55
_cell_angle_gamma   35.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcW2Au
_chemical_formula_sum   'Tc1 W2 Au1'
_cell_volume   64.38
_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  Tc1  1  0.59  0.0  0.61  1.0
  W  W2  1  0.22  0.0  0.69  1.0
  W  W3  1  0.64  0.0  0.18  1.0
  Au  Au0  1  0.12  0.0  0.35  1.0

data_TcW2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.84
_cell_length_c   4.85
_cell_angle_alpha   101.55
_cell_angle_beta   107.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcW2Au
_chemical_formula_sum   'Tc1 W2 Au1'
_cell_volume   64.38
_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  0.61  0.59  1.0
  W  W1  1  0.0  0.18  0.64  1.0
  W  W2  1  0.0  0.69  0.22  1.0
  Au  Au3  1  0.0  0.35  0.12  1.0

Tc W W Au