data_InTc2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   142.99
_cell_angle_beta   127.65
_cell_angle_gamma   65.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTc2Au
_chemical_formula_sum   'In1 Tc2 Au1'
_cell_volume   67.92
_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
  In  In1  1  0.0  0.0  0.65  1.0
  Tc  Tc2  1  0.67  0.0  0.14  1.0
  Tc  Tc3  1  0.0  0.0  0.05  1.0
  Au  Au0  1  0.67  0.0  0.38  1.0

data_InTc2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.63
_cell_length_c   5.25
_cell_angle_alpha   116.17
_cell_angle_beta   108.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTc2Au
_chemical_formula_sum   'In1 Tc2 Au1'
_cell_volume   67.92
_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
  In  In0  1  0.0  0.65  0.65  1.0
  Tc  Tc1  1  0.0  0.05  0.05  1.0
  Tc  Tc2  1  0.0  0.14  0.47  1.0
  Au  Au3  1  0.0  0.38  0.72  1.0

In Tc Tc Au
In Tc Tc Au 0 3 - o o 0 2 o o + 1 3 o o o 1 2 + o o 