data_LaY2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   9.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2Tc
_chemical_formula_sum   'La1 Y2 Tc1'
_cell_volume   115.24
_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
  La  La0  1  0.17  0.0  0.13  1.0
  Y  Y2  1  0.17  0.0  0.62  1.0
  Y  Y3  1  0.0  0.0  0.37  1.0
  Tc  Tc1  1  0.0  0.0  0.4  1.0

data_LaY2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   9.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2Tc
_chemical_formula_sum   'La1 Y2 Tc1'
_cell_volume   115.24
_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
  La  La0  1  0.17  0.0  0.13  1.0
  Y  Y1  1  0.0  0.0  0.37  1.0
  Y  Y2  1  0.17  0.0  0.62  1.0
  Tc  Tc3  1  0.0  0.0  0.4  1.0

La Y Y Tc
La Y Y Tc 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 