data_La3Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   144.2
_cell_angle_beta   125.41
_cell_angle_gamma   67.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Tc
_chemical_formula_sum   'La3 Tc1'
_cell_volume   119.36
_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  0.0  0.9  0.25  1.0
  La  La1  1  0.95  0.0  0.03  1.0
  La  La2  1  0.0  0.0  0.28  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

data_La3Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   5.81
_cell_length_c   6.33
_cell_angle_alpha   117.3
_cell_angle_beta   107.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Tc
_chemical_formula_sum   'La3 Tc1'
_cell_volume   119.36
_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  0.72  0.72  0.72  1.0
  La  La1  1  0.75  0.66  0.66  1.0
  La  La2  1  0.91  0.97  0.91  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

La La La Tc
La La La Tc 0 2 o + o 1 3 + o o 