data_YTcAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   133.39
_cell_angle_beta   133.39
_cell_angle_gamma   68.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTcAu2
_chemical_formula_sum   'Y1 Tc1 Au2'
_cell_volume   77.4
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.1  0.2  1.0
  Au  Au0  1  0.1  0.0  0.2  1.0
  Au  Au1  1  0.0  0.0  0.4  1.0

data_YTcAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   5.3
_cell_angle_alpha   113.31
_cell_angle_beta   113.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTcAu2
_chemical_formula_sum   'Y1 Tc1 Au2'
_cell_volume   77.4
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.1  0.2  0.1  1.0
  Au  Au2  1  0.2  0.1  0.1  1.0
  Au  Au3  1  0.4  0.4  0.4  1.0

Y Tc Au Au
Y Tc Au Au 0 1 o o o 0 2 o o o 1 2 o o o 1 3 o o o 2 3 o o o 