data_YTcGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   4.39
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   91.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTcGe2
_chemical_formula_sum   'Y1 Tc1 Ge2'
_cell_volume   78.25
_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  0.6  0.0  0.63  1.0
  Ge  Ge0  1  0.77  0.19  0.35  1.0
  Ge  Ge1  1  0.44  0.19  0.91  1.0

data_YTcGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.39
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   91.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTcGe2
_chemical_formula_sum   'Y1 Tc1 Ge2'
_cell_volume   78.25
_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  0.6  0.0  0.63  1.0
  Ge  Ge2  1  0.44  0.19  0.91  1.0
  Ge  Ge3  1  0.77  0.19  0.35  1.0

Y Tc Ge Ge
Y Tc Ge Ge 0 3 - o - 0 3 o o - 0 2 - o o 1 3 o o o 1 2 o o o 