data_BaLa2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   10.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2Tc
_chemical_formula_sum   'Ba1 La2 Tc1'
_cell_volume   140.59
_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
  Ba  Ba0  1  0.0  0.0  0.35  1.0
  La  La1  1  0.28  0.0  0.96  1.0
  La  La2  1  0.28  0.0  0.73  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

data_BaLa2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   10.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2Tc
_chemical_formula_sum   'Ba1 La2 Tc1'
_cell_volume   140.59
_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
  Ba  Ba0  1  0.0  0.0  0.35  1.0
  La  La1  1  0.28  0.0  0.73  1.0
  La  La2  1  0.28  0.0  0.96  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

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