data_TcSnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   2.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSnAu
_chemical_formula_sum   'Tc1 Sn1 Au1'
_cell_volume   54.67
_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  0.0  0.8  1.0
  Sn  Sn1  1  0.0  0.66  0.93  1.0
  Au  Au0  1  0.31  0.33  0.24  1.0

data_TcSnAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSnAu
_chemical_formula_sum   'Tc1 Sn1 Au1'
_cell_volume   54.67
_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  0.8  0.0  0.0  1.0
  Sn  Sn1  1  0.93  0.0  0.66  1.0
  Au  Au2  1  0.24  0.31  0.33  1.0

Tc Sn Au
Tc Sn Au 0 1 o - o 0 2 o o + 0 2 o o o 