data_YTc2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   4.5
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   105.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTc2Sn
_chemical_formula_sum   'Y1 Tc2 Sn1'
_cell_volume   80.18
_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  0.01  0.0  0.63  1.0
  Tc  Tc1  1  0.27  0.0  0.19  1.0
  Tc  Tc2  1  0.53  0.25  0.06  1.0
  Sn  Sn0  1  0.4  0.25  0.09  1.0

data_YTc2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.5
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   105.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTc2Sn
_chemical_formula_sum   'Y1 Tc2 Sn1'
_cell_volume   80.18
_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  0.01  0.0  0.63  1.0
  Tc  Tc1  1  0.27  0.0  0.19  1.0
  Tc  Tc2  1  0.53  0.25  0.06  1.0
  Sn  Sn3  1  0.4  0.25  0.09  1.0

Y Tc Tc Sn
Y Tc Tc Sn 0 3 - o o 0 3 o o + 0 2 - o o 0 2 - o + 0 2 o o + 0 1 - o o 0 1 o o o 0 1 o o + 0 0 + o o 1 3 o o o 2 3 o o o 